2-[4-(pyrazol-1-ylmethyl)phenyl]acetic acid

C12H12N2O2 — CID 10262749

IUPAC2-[4-(pyrazol-1-ylmethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C12H12N2O2/c15-12(16)8-10-2-4-11(5-3-10)9-14-7-1-6-13-14/h1-7H,8-9H2,(H,15,16)
InChIKeyFGOUWZMAKYNJBA-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.56
Rot. Bonds4

About 2-[4-(pyrazol-1-ylmethyl)phenyl]acetic acid

2-[4-(pyrazol-1-ylmethyl)phenyl]acetic acid (PubChem CID 10262749) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[4-(pyrazol-1-ylmethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(pyrazol-1-ylmethyl)phenyl]acetic acid
PubChem CID10262749
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-[4-(pyrazol-1-ylmethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C12H12N2O2/c15-12(16)8-10-2-4-11(5-3-10)9-14-7-1-6-13-14/h1-7H,8-9H2,(H,15,16)
InChIKeyFGOUWZMAKYNJBA-UHFFFAOYSA-N
XLogP1.56
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazole-4-acetic acid, 1,3-diphenyl-
CID 2356939
4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoic acid
CID 585564
3-(1H-pyrazol-1-ylmethyl)benzoic acid
CID 1263648
4-(1H-pyrazol-1-ylmethyl)benzoic acid
CID 6484268
8-(4,5-Diphenyl-pyrazol-1-yl)-octanoic acid
CID 10090048
9-(3,4-Diphenyl-pyrazol-1-yl)-nonanoic acid
CID 10090958
9-(4,5-Diphenyl-pyrazol-1-yl)-nonanoic acid
CID 10452166
3,4-diphenyl-1H-pyrazole-1-octanoic acid
CID 15725733
9-(3,4-Diphenylpyrazol-1-yl)nonanoic acid;hydrate
CID 67794220
3-[1-(2-Carboxyethyl)-3-(p-tolyl)pyrazol-4-yl]propanoic acid
CID 2389010
2-Amino-2-(4-pyrazol-1-ylphenyl)acetic acid;hydrochloride
CID 118723771
4-(4-methylphenyl)-4-oxo-2-(1H-pyrazol-1-yl)butanoic acid
CID 2951417

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrazol-1-ylmethyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(pyrazol-1-ylmethyl)phenyl]acetic acid (CID 10262749) is 2-[4-(pyrazol-1-ylmethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(pyrazol-1-ylmethyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(pyrazol-1-ylmethyl)phenyl]acetic acid is O=C(O)Cc1ccc(Cn2cccn2)cc1.
What is the InChIKey of 2-[4-(pyrazol-1-ylmethyl)phenyl]acetic acid?
The InChIKey is FGOUWZMAKYNJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-12(16)8-10-2-4-11(5-3-10)9-14-7-1-6-13-14/h1-7H,8-9H2,(H,15,16).
What are the key properties of 2-[4-(pyrazol-1-ylmethyl)phenyl]acetic acid?
2-[4-(pyrazol-1-ylmethyl)phenyl]acetic acid has a molecular weight of 216.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrazol-1-ylmethyl)phenyl]acetic acid is sourced from PubChem (CID 10262749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).