3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid

C11H10N2O2 — CID 818267

IUPAC3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)[nH]n2)cc1
InChIInChI=1S/C11H10N2O2/c1-7-2-4-8(5-3-7)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyBGTWUOQARPOYER-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.08
Rot. Bonds2

About 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid

3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 818267) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID818267
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)[nH]n2)cc1
InChIInChI=1S/C11H10N2O2/c1-7-2-4-8(5-3-7)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyBGTWUOQARPOYER-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 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid (CID 818267) is 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)[nH]n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is BGTWUOQARPOYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-2-4-8(5-3-7)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid?
3-(4-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 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 818267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).