CAS 40545-68-4|4-(pyridin-3-yl)-2H-pyrazol-3-amine|3-(3-Amino-1H-pyrazol-4-yl)pyridine|5-Amino-4-(pyridin-3-yl)-1H-pyrazole|4-(Pyridin-3-yl)-1H-pyrazol-5-amine|4-(pyridin-3-yl)-1H-pyrazol-5-amine

General Information

Structure

Molecular Formula

C₈H₈N₄

Molecular Mass

160.17592

Exact Mass

160.07489628

Charge

InChI

InChI=1S/C8H8N4/c9-8-7(5-11-12-8)6-2-1-3-10-4-6/h1-5H,(H3,9,11,12)

InChIKey

XFTJTKIDLRCJBT-UHFFFAOYSA-N

Canonic Smiles

Nc1[nH]ncc1c1cccnc1

Isomeric Smiles

[nH]1c(c(c2cccnc2)cn1)N

Calculated Properties

JChem

Acid pKa

13.712744

H Acceptors

H Donor

LogD (pH = 5.5)

-0.07049032

LogD (pH = 7.4)

-0.033153053

Log P

-0.032652203

Molar Refractivity

46.6784

Polarizability

18.332039

Polar Surface Area

67.59

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

4-(pyridin-3-yl)-1H-pyrazol-5-amine

Synonyms

3-(3-Amino-1H-pyrazol-4-yl)pyridine5-Amino-4-(pyridin-3-yl)-1H-pyrazole4-(Pyridin-3-yl)-1H-pyrazol-5-amine

IUPAC Traditional name

4-(pyridin-3-yl)-2H-pyrazol-3-amine

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

MDL Number

CAS Number

Registration numbers

Properties

Safety Information

Storage Warning

Harmful/Irritant/Store under Argon

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Academic Data

• Commercial Catalog

Names and Identifiers

• IUPAC name

• Synonyms

• IUPAC Traditional name

Registration numbers

• PubChem CID

• PubChem SID

• MDL Number

• CAS Number

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:76989