4-(5-methylpyrazol-1-yl)benzoic acid

C11H10N2O2 — CID 4962781

IUPAC4-(5-methylpyrazol-1-yl)benzoic acid
SMILESCc1ccnn1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H10N2O2/c1-8-6-7-12-13(8)10-4-2-9(3-5-10)11(14)15/h2-7H,1H3,(H,14,15)
InChIKeyMJTSOUSVHDKPCQ-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.88
Rot. Bonds2

About 4-(5-methylpyrazol-1-yl)benzoic acid

4-(5-methylpyrazol-1-yl)benzoic acid (PubChem CID 4962781) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-(5-methylpyrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-methylpyrazol-1-yl)benzoic acid
PubChem CID4962781
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-(5-methylpyrazol-1-yl)benzoic acid
SMILESCc1ccnn1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H10N2O2/c1-8-6-7-12-13(8)10-4-2-9(3-5-10)11(14)15/h2-7H,1H3,(H,14,15)
InChIKeyMJTSOUSVHDKPCQ-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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Related Compounds

azepan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 9036784
azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 17395851
5-methyl-1-(4-methylphenyl)pyrazole
CID 53302146
(2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 46419890
N-[2-(dimethylamino)-2-oxoethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9481086
benzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate
CID 29209753
3,4-dihydro-1H-isoquinolin-2-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 29196139
4-(5-methylpyrazol-1-yl)benzaldehyde
CID 105442092
[4-(5-methylpyrazol-1-yl)phenyl]boronic acid
CID 164783046
methyl 1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-4-carboxylate
CID 47010037
N'-(4-ethoxybenzoyl)-4-(5-methylpyrazol-1-yl)benzohydrazide
CID 9327686
[4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 31415549

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylpyrazol-1-yl)benzoic acid?
The IUPAC name of 4-(5-methylpyrazol-1-yl)benzoic acid (CID 4962781) is 4-(5-methylpyrazol-1-yl)benzoic acid.
What is the SMILES notation for 4-(5-methylpyrazol-1-yl)benzoic acid?
The canonical SMILES for 4-(5-methylpyrazol-1-yl)benzoic acid is Cc1ccnn1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(5-methylpyrazol-1-yl)benzoic acid?
The InChIKey is MJTSOUSVHDKPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-6-7-12-13(8)10-4-2-9(3-5-10)11(14)15/h2-7H,1H3,(H,14,15).
What are the key properties of 4-(5-methylpyrazol-1-yl)benzoic acid?
4-(5-methylpyrazol-1-yl)benzoic 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 4-(5-methylpyrazol-1-yl)benzoic acid is sourced from PubChem (CID 4962781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).