4-methyl-3-phenyl-1H-pyrazole-5-carboxylic acid

C11H10N2O2 — CID 3156991

IUPAC4-methyl-3-phenyl-1H-pyrazole-5-carboxylic acid
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)O
InChIInChI=1S/C11H10N2O2/c1-7-9(8-5-3-2-4-6-8)12-13-10(7)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeySGRSFFPRUYGFGN-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.08
Rot. Bonds2

About 4-methyl-3-phenyl-1H-pyrazole-5-carboxylic acid

4-methyl-3-phenyl-1H-pyrazole-5-carboxylic acid (PubChem CID 3156991) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-methyl-3-phenyl-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-phenyl-1H-pyrazole-5-carboxylic acid
PubChem CID3156991
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-methyl-3-phenyl-1H-pyrazole-5-carboxylic acid
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)O
InChIInChI=1S/C11H10N2O2/c1-7-9(8-5-3-2-4-6-8)12-13-10(7)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeySGRSFFPRUYGFGN-UHFFFAOYSA-N
XLogP2.08
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenyl-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-methyl-3-phenyl-1H-pyrazole-5-carboxylic acid (CID 3156991) is 4-methyl-3-phenyl-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-3-phenyl-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-3-phenyl-1H-pyrazole-5-carboxylic acid is Cc1c(-c2ccccc2)n[nH]c1C(=O)O.
What is the InChIKey of 4-methyl-3-phenyl-1H-pyrazole-5-carboxylic acid?
The InChIKey is SGRSFFPRUYGFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-9(8-5-3-2-4-6-8)12-13-10(7)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-methyl-3-phenyl-1H-pyrazole-5-carboxylic acid?
4-methyl-3-phenyl-1H-pyrazole-5-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenyl-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 3156991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).