3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid;hydrochloride

C9H8ClN3O2 — CID 17096159

IUPAC3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C9H7N3O2.ClH/c13-9(14)8-5-7(11-12-8)6-1-3-10-4-2-6;/h1-5H,(H,11,12)(H,13,14);1H
InChIKeyBRVJMIHOVGVNJJ-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.59
Rot. Bonds2

About 3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid;hydrochloride

3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid;hydrochloride (PubChem CID 17096159) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid;hydrochloride
PubChem CID17096159
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C9H7N3O2.ClH/c13-9(14)8-5-7(11-12-8)6-1-3-10-4-2-6;/h1-5H,(H,11,12)(H,13,14);1H
InChIKeyBRVJMIHOVGVNJJ-UHFFFAOYSA-N
XLogP1.59
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid;hydrochloride (CID 17096159) is 3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid;hydrochloride is Cl.O=C(O)c1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of 3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid;hydrochloride?
The InChIKey is BRVJMIHOVGVNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2.ClH/c13-9(14)8-5-7(11-12-8)6-1-3-10-4-2-6;/h1-5H,(H,11,12)(H,13,14);1H.
What are the key properties of 3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid;hydrochloride?
3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid;hydrochloride has a molecular weight of 225.64 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-1H-pyrazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 17096159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).