1-(4-methylphenyl)pyrazole-4-carboxylic acid

C11H10N2O2 — CID 21105064

IUPAC1-(4-methylphenyl)pyrazole-4-carboxylic acid
SMILESCc1ccc(-n2cc(C(=O)O)cn2)cc1
InChIInChI=1S/C11H10N2O2/c1-8-2-4-10(5-3-8)13-7-9(6-12-13)11(14)15/h2-7H,1H3,(H,14,15)
InChIKeyPAMUWBRACOCPER-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.88
Rot. Bonds2

About 1-(4-methylphenyl)pyrazole-4-carboxylic acid

1-(4-methylphenyl)pyrazole-4-carboxylic acid (PubChem CID 21105064) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1-(4-methylphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylphenyl)pyrazole-4-carboxylic acid
PubChem CID21105064
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name1-(4-methylphenyl)pyrazole-4-carboxylic acid
SMILESCc1ccc(-n2cc(C(=O)O)cn2)cc1
InChIInChI=1S/C11H10N2O2/c1-8-2-4-10(5-3-8)13-7-9(6-12-13)11(14)15/h2-7H,1H3,(H,14,15)
InChIKeyPAMUWBRACOCPER-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 1-(4-methylphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-methylphenyl)pyrazole-4-carboxylic acid (CID 21105064) is 1-(4-methylphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-methylphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-methylphenyl)pyrazole-4-carboxylic acid is Cc1ccc(-n2cc(C(=O)O)cn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)pyrazole-4-carboxylic acid?
The InChIKey is PAMUWBRACOCPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-2-4-10(5-3-8)13-7-9(6-12-13)11(14)15/h2-7H,1H3,(H,14,15).
What are the key properties of 1-(4-methylphenyl)pyrazole-4-carboxylic acid?
1-(4-methylphenyl)pyrazole-4-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 1-(4-methylphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 21105064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).