5-pyridin-3-yl-1H-pyrazol-3-amine;hydrochloride

C8H9ClN4 — CID 47002499

IUPAC5-pyridin-3-yl-1H-pyrazol-3-amine;hydrochloride
SMILESCl.Nc1cc(-c2cccnc2)[nH]n1
InChIInChI=1S/C8H8N4.ClH/c9-8-4-7(11-12-8)6-2-1-3-10-5-6;/h1-5H,(H3,9,11,12);1H
InChIKeyAXCMWLFDZDAQRY-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.48
Rot. Bonds1

About 5-pyridin-3-yl-1H-pyrazol-3-amine;hydrochloride

5-pyridin-3-yl-1H-pyrazol-3-amine;hydrochloride (PubChem CID 47002499) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is 5-pyridin-3-yl-1H-pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name5-pyridin-3-yl-1H-pyrazol-3-amine;hydrochloride
PubChem CID47002499
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC Name5-pyridin-3-yl-1H-pyrazol-3-amine;hydrochloride
SMILESCl.Nc1cc(-c2cccnc2)[nH]n1
InChIInChI=1S/C8H8N4.ClH/c9-8-4-7(11-12-8)6-2-1-3-10-5-6;/h1-5H,(H3,9,11,12);1H
InChIKeyAXCMWLFDZDAQRY-UHFFFAOYSA-N
XLogP1.48
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[3-(3,4,5-trifluorophenyl)-1H-pyrazol-5-yl]pyridine
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5-(5-methyl-3-pyridinyl)-1H-pyrazol-3-amine
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6-pyridin-3-ylpyrimidine-2,4-diamine
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4-pyridin-3-ylaniline;dihydrochloride
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3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine
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5-pyridin-3-yl-1H-indazol-3-amine
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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-1H-pyrazol-3-amine;hydrochloride?
The IUPAC name of 5-pyridin-3-yl-1H-pyrazol-3-amine;hydrochloride (CID 47002499) is 5-pyridin-3-yl-1H-pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 5-pyridin-3-yl-1H-pyrazol-3-amine;hydrochloride?
The canonical SMILES for 5-pyridin-3-yl-1H-pyrazol-3-amine;hydrochloride is Cl.Nc1cc(-c2cccnc2)[nH]n1.
What is the InChIKey of 5-pyridin-3-yl-1H-pyrazol-3-amine;hydrochloride?
The InChIKey is AXCMWLFDZDAQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4.ClH/c9-8-4-7(11-12-8)6-2-1-3-10-5-6;/h1-5H,(H3,9,11,12);1H.
What are the key properties of 5-pyridin-3-yl-1H-pyrazol-3-amine;hydrochloride?
5-pyridin-3-yl-1H-pyrazol-3-amine;hydrochloride has a molecular weight of 196.64 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-1H-pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 47002499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).