CAS 1820-80-0|CAS 916420-28-5|1H-Pyrazol-3-amine|3-Amino-1H-pyrazole 94%|1H-pyrazol-3-amine|1H-pyrazol-3-amine|5-Amino-1H-pyrazole|1H-Pyrazol-5-amine|2H-pyrazol-3-amine|1H-Pyrazol-3-amine|1H-pyrazol...

General Information

Structure

Molecular Formula

C₃H₅N₃

Molecular Mass

83.0919

Exact Mass

83.04834718

Charge

InChI

InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)

InChIKey

JVVRJMXHNUAPHW-UHFFFAOYSA-N

Canonic Smiles

Nc1cc[nH]n1

Isomeric Smiles

n1c(cc[nH]1)N

Calculated Properties

JChem

Acid pKa

14.072573

H Acceptors

H Donor

LogD (pH = 5.5)

-0.4677378

LogD (pH = 7.4)

-0.46227533

Log P

-0.46220514

Molar Refractivity

23.6991

Polarizability

8.286548

Polar Surface Area

54.7

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

1H-Pyrazol-3-amine3-Amino-1H-pyrazole 94%5-Amino-1H-pyrazole1H-Pyrazol-5-amine1H-Pyrazol-3-amine3-氨基吡唑3-AP3-Pyrazolamine1-H-5-氨基吡唑3-Aminopyrazole1H-pyrazol-5-amine1H-Pyrazole-5-amine3-Amino-1H-pyrazole 97%3-氨基-1H-吡唑3-Amino-1H-pyrazoleNSC 761225-Pyrazolamine3-Aminopyrazole

IUPAC name

1H-pyrazol-3-amine 1H-pyrazol-5-amine

IUPAC Traditional name

1H-pyrazol-3-amine 2H-pyrazol-3-amine

Names and Identifiers

Registration numbers

CAS Number

1820-80-0916420-28-5

MDL Number

MFCD08700632MFCD00005236

PubChem SID

2484631816099701424849882

Beilstein Number

1618

EC Number

217-338-1

PubChem CID

74561

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

160644

Application
Employed in a one-pot synthesis of pyrazolopyrimidines.1
Used in the preparation of heterocyclic compounds of pharmaceutical interest.
Packaging
2.5, 10 g in glass bottle

TRC

A628950

Used in the preparation of heterocyclic compounds of pharamaceutical interest.

Molecule Details

References

PubChem Literature

From Data Sources

• Di Fabio, R., et al.: J. Med. Chem., 51, 7370 (2008)

• Vaccaro, W., et al.: Bioorg. Med. Chem. Lett., 18, 6381 (2008)

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

IUPAC name

1H-pyrazol-3-amine 1H-pyrazol-5-amine

IUPAC Traditional name

1H-pyrazol-3-amine 2H-pyrazol-3-amine

Registration numbers

CAS Number

1820-80-0916420-28-5

MDL Number

MFCD08700632MFCD00005236

PubChem SID

2484631816099701424849882

Beilstein Number

EC Number

PubChem CID

Molecule Details

160644

Application
Employed in a one-pot synthesis of pyrazolopyrimidines.1
Used in the preparation of heterocyclic compounds of pharmaceutical interest.
Packaging
2.5, 10 g in glass bottle

TRC

A628950

Used in the preparation of heterocyclic compounds of pharamaceutical interest.

References

PubChem Literature

From Data Sources

• Di Fabio, R., et al.: J. Med. Chem., 51, 7370 (2008)

• Vaccaro, W., et al.: Bioorg. Med. Chem. Lett., 18, 6381 (2008)

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:33707