5-methyl-2-phenylpyrazole-3-carboxylic acid

C11H10N2O2 — CID 2769592

IUPAC5-methyl-2-phenylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(-c2ccccc2)n1
InChIInChI=1S/C11H10N2O2/c1-8-7-10(11(14)15)13(12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChIKeyCLWQEWCCJFUHNV-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.88
Rot. Bonds2

About 5-methyl-2-phenylpyrazole-3-carboxylic acid

5-methyl-2-phenylpyrazole-3-carboxylic acid (PubChem CID 2769592) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-methyl-2-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-phenylpyrazole-3-carboxylic acid
PubChem CID2769592
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5-methyl-2-phenylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(-c2ccccc2)n1
InChIInChI=1S/C11H10N2O2/c1-8-7-10(11(14)15)13(12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChIKeyCLWQEWCCJFUHNV-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 5-methyl-2-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-2-phenylpyrazole-3-carboxylic acid (CID 2769592) is 5-methyl-2-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-phenylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)n(-c2ccccc2)n1.
What is the InChIKey of 5-methyl-2-phenylpyrazole-3-carboxylic acid?
The InChIKey is CLWQEWCCJFUHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-7-10(11(14)15)13(12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15).
What are the key properties of 5-methyl-2-phenylpyrazole-3-carboxylic acid?
5-methyl-2-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 5-methyl-2-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 2769592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).