CAS 127107-23-7|CAS 69843-13-6|1-methyl-1H-pyrazol-4-amine|1-methyl-1H-pyrazol-4-amine|1-methylpyrazol-4-amine|4-Amino-1-methylpyrazole|1-methyl-1H-pyrazol-4-amine hydrochloride|4-Amino-1-methyl-1H-...

General Information

Structure

Molecular Formula

C₄H₇N₃

Molecular Mass

97.11848

Exact Mass

97.06399724

Charge

0

InChI

InChI=1S/C4H7N3/c1-7-3-4(5)2-6-7/h2-3H,5H2,1H3

InChIKey

LBGSWBJURUFGLR-UHFFFAOYSA-N

Canonic Smiles

Cn1cc(cn1)N

Isomeric Smiles

n1n(cc(c1)N)C

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-0.42786187

LogD (pH = 7.4)

-0.4278206

Log P

-0.4278201

Molar Refractivity

39.6618

Polarizability

10.042847

Polar Surface Area

43.84

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

1-methylpyrazol-4-amine

IUPAC name

1-methyl-1H-pyrazol-4-amine

Synonyms

1-methyl-1H-pyrazol-4-amine4-Amino-1-methylpyrazole1-methyl-1H-pyrazol-4-amine hydrochloride4-Amino-1-methyl-1H-pyrazole1-Methyl-1H-pyrazol-4-amine

Names and Identifiers

Registration numbers

CAS Number

127107-23-769843-13-6

MDL Number

MFCD05667135MFCD07626616MFCD09025437

PubChem CID

4770990

PubChem SID

162063626

Registration numbers

Properties

Physical Property

Partition Coefficient

-0.791

Hydrophobicity(logP)

-0.528

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:58863