4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid

C11H10N2O2 — CID 83637973

IUPAC4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCc1ccccc1-c1cn[nH]c1C(=O)O
InChIInChI=1S/C11H10N2O2/c1-7-4-2-3-5-8(7)9-6-12-13-10(9)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyOWOIHTZMXKFILZ-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.08
Rot. Bonds2

About 4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid

4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 83637973) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID83637973
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCc1ccccc1-c1cn[nH]c1C(=O)O
InChIInChI=1S/C11H10N2O2/c1-7-4-2-3-5-8(7)9-6-12-13-10(9)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyOWOIHTZMXKFILZ-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-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid (CID 83637973) is 4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid is Cc1ccccc1-c1cn[nH]c1C(=O)O.
What is the InChIKey of 4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is OWOIHTZMXKFILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-4-2-3-5-8(7)9-6-12-13-10(9)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid?
4-(2-methylphenyl)-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-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 83637973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).