1-(3-chloro-2-pyridinyl)pyrazol-3-amine

C8H7ClN4 — CID 61177345

IUPAC1-(3-chloro-2-pyridinyl)pyrazol-3-amine
SMILESNc1ccn(-c2ncccc2Cl)n1
InChIInChI=1S/C8H7ClN4/c9-6-2-1-4-11-8(6)13-5-3-7(10)12-13/h1-5H,(H2,10,12)
InChIKeyLXLQLBLYRXHAOK-UHFFFAOYSA-N
MW194.63 g/mol
LogP1.50
Rot. Bonds1

About 1-(3-chloro-2-pyridinyl)pyrazol-3-amine

1-(3-chloro-2-pyridinyl)pyrazol-3-amine (PubChem CID 61177345) has the molecular formula C8H7ClN4 and a molecular weight of 194.63 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)pyrazol-3-amine
PubChem CID61177345
Molecular FormulaC8H7ClN4
Molecular Weight194.63 g/mol
Exact Mass194.04
IUPAC Name1-(3-chloro-2-pyridinyl)pyrazol-3-amine
SMILESNc1ccn(-c2ncccc2Cl)n1
InChIInChI=1S/C8H7ClN4/c9-6-2-1-4-11-8(6)13-5-3-7(10)12-13/h1-5H,(H2,10,12)
InChIKeyLXLQLBLYRXHAOK-UHFFFAOYSA-N
XLogP1.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.63
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Pyridinylmethyl)-1H-pyrazol-5-amine
CID 1096898
5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile
CID 12709883
3-Methyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 735132
4-Chloro-N-(2-pyridin-2-yl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 90285421
5-chloro-N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine
CID 778503
3,5-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine
CID 2483894
4-(4-Chlorophenyl)-1-(6-fluoro-2-pyridinyl)-3-pyrazolamine
CID 1478416
N-(2-chloro-phenyl)-1-pyridin-2-yl-1H-[1,2,4]triazole-3,5-diamine
CID 56595688
Pyridine, 2-(4-aminopyrazol-1-yl)-
CID 206681
1-((pyridin-3-yl)methyl)-1H-pyrazol-5-amine
CID 1096899
2-(1H-pyrazol-1-yl)pyridine
CID 5324086
2,6-Di(1-pyrazolyl)pyridine
CID 11816656

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)pyrazol-3-amine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)pyrazol-3-amine (CID 61177345) is 1-(3-chloro-2-pyridinyl)pyrazol-3-amine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)pyrazol-3-amine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)pyrazol-3-amine is Nc1ccn(-c2ncccc2Cl)n1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)pyrazol-3-amine?
The InChIKey is LXLQLBLYRXHAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c9-6-2-1-4-11-8(6)13-5-3-7(10)12-13/h1-5H,(H2,10,12).
What are the key properties of 1-(3-chloro-2-pyridinyl)pyrazol-3-amine?
1-(3-chloro-2-pyridinyl)pyrazol-3-amine has a molecular weight of 194.63 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)pyrazol-3-amine is sourced from PubChem (CID 61177345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).