1-pyridin-3-ylpyrazole-3-carboxylic acid;hydrochloride

C9H8ClN3O2 — CID 139026668

IUPAC1-pyridin-3-ylpyrazole-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccn(-c2cccnc2)n1
InChIInChI=1S/C9H7N3O2.ClH/c13-9(14)8-3-5-12(11-8)7-2-1-4-10-6-7;/h1-6H,(H,13,14);1H
InChIKeyPCIKRGNAKAQBAC-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.39
Rot. Bonds2

About 1-pyridin-3-ylpyrazole-3-carboxylic acid;hydrochloride

1-pyridin-3-ylpyrazole-3-carboxylic acid;hydrochloride (PubChem CID 139026668) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 1-pyridin-3-ylpyrazole-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-pyridin-3-ylpyrazole-3-carboxylic acid;hydrochloride
PubChem CID139026668
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name1-pyridin-3-ylpyrazole-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccn(-c2cccnc2)n1
InChIInChI=1S/C9H7N3O2.ClH/c13-9(14)8-3-5-12(11-8)7-2-1-4-10-6-7;/h1-6H,(H,13,14);1H
InChIKeyPCIKRGNAKAQBAC-UHFFFAOYSA-N
XLogP1.39
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylpyrazole-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-pyridin-3-ylpyrazole-3-carboxylic acid;hydrochloride (CID 139026668) is 1-pyridin-3-ylpyrazole-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-pyridin-3-ylpyrazole-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-pyridin-3-ylpyrazole-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccn(-c2cccnc2)n1.
What is the InChIKey of 1-pyridin-3-ylpyrazole-3-carboxylic acid;hydrochloride?
The InChIKey is PCIKRGNAKAQBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2.ClH/c13-9(14)8-3-5-12(11-8)7-2-1-4-10-6-7;/h1-6H,(H,13,14);1H.
What are the key properties of 1-pyridin-3-ylpyrazole-3-carboxylic acid;hydrochloride?
1-pyridin-3-ylpyrazole-3-carboxylic acid;hydrochloride has a molecular weight of 225.64 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylpyrazole-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 139026668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).