1-(3-chlorophenyl)pyrazole-3-carboxylic acid

C10H7ClN2O2 — CID 43123853

IUPAC1-(3-chlorophenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C10H7ClN2O2/c11-7-2-1-3-8(6-7)13-5-4-9(12-13)10(14)15/h1-6H,(H,14,15)
InChIKeyWSIKEZXPBAOPOU-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.22
Rot. Bonds2

About 1-(3-chlorophenyl)pyrazole-3-carboxylic acid

1-(3-chlorophenyl)pyrazole-3-carboxylic acid (PubChem CID 43123853) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 1-(3-chlorophenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-chlorophenyl)pyrazole-3-carboxylic acid
PubChem CID43123853
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name1-(3-chlorophenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C10H7ClN2O2/c11-7-2-1-3-8(6-7)13-5-4-9(12-13)10(14)15/h1-6H,(H,14,15)
InChIKeyWSIKEZXPBAOPOU-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(3-chlorophenyl)pyrazole-3-carboxylic acid (CID 43123853) is 1-(3-chlorophenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(3-chlorophenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(3-chlorophenyl)pyrazole-3-carboxylic acid is O=C(O)c1ccn(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)pyrazole-3-carboxylic acid?
The InChIKey is WSIKEZXPBAOPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-7-2-1-3-8(6-7)13-5-4-9(12-13)10(14)15/h1-6H,(H,14,15).
What are the key properties of 1-(3-chlorophenyl)pyrazole-3-carboxylic acid?
1-(3-chlorophenyl)pyrazole-3-carboxylic acid has a molecular weight of 222.63 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 43123853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).