4-methyl-1-phenylpyrazole-3-carboxylic acid

C11H10N2O2 — CID 22267974

IUPAC4-methyl-1-phenylpyrazole-3-carboxylic acid
SMILESCc1cn(-c2ccccc2)nc1C(=O)O
InChIInChI=1S/C11H10N2O2/c1-8-7-13(12-10(8)11(14)15)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChIKeyLHRKEPMAEXHVOS-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.88
Rot. Bonds2

About 4-methyl-1-phenylpyrazole-3-carboxylic acid

4-methyl-1-phenylpyrazole-3-carboxylic acid (PubChem CID 22267974) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-methyl-1-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-phenylpyrazole-3-carboxylic acid
PubChem CID22267974
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-methyl-1-phenylpyrazole-3-carboxylic acid
SMILESCc1cn(-c2ccccc2)nc1C(=O)O
InChIInChI=1S/C11H10N2O2/c1-8-7-13(12-10(8)11(14)15)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChIKeyLHRKEPMAEXHVOS-UHFFFAOYSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 4-methyl-1-phenylpyrazole-3-carboxylic acid (CID 22267974) is 4-methyl-1-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-phenylpyrazole-3-carboxylic acid is Cc1cn(-c2ccccc2)nc1C(=O)O.
What is the InChIKey of 4-methyl-1-phenylpyrazole-3-carboxylic acid?
The InChIKey is LHRKEPMAEXHVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-7-13(12-10(8)11(14)15)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15).
What are the key properties of 4-methyl-1-phenylpyrazole-3-carboxylic acid?
4-methyl-1-phenylpyrazole-3-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 22267974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).