2-phenyl-2-pyrazol-1-ylacetic acid

C11H10N2O2 — CID 13047015

IUPAC2-phenyl-2-pyrazol-1-ylacetic acid
SMILESO=C(O)C(c1ccccc1)n1cccn1
InChIInChI=1S/C11H10N2O2/c14-11(15)10(13-8-4-7-12-13)9-5-2-1-3-6-9/h1-8,10H,(H,14,15)
InChIKeyAMAPMVWSJNXHCG-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.56
Rot. Bonds3

About 2-phenyl-2-pyrazol-1-ylacetic acid

2-phenyl-2-pyrazol-1-ylacetic acid (PubChem CID 13047015) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-phenyl-2-pyrazol-1-ylacetic acid.

Molecular Properties

Compound Name2-phenyl-2-pyrazol-1-ylacetic acid
PubChem CID13047015
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-phenyl-2-pyrazol-1-ylacetic acid
SMILESO=C(O)C(c1ccccc1)n1cccn1
InChIInChI=1S/C11H10N2O2/c14-11(15)10(13-8-4-7-12-13)9-5-2-1-3-6-9/h1-8,10H,(H,14,15)
InChIKeyAMAPMVWSJNXHCG-UHFFFAOYSA-N
XLogP1.56
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
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
2-phenyl-2-(1H-pyrrol-1-yl)acetic acid
CID 2741447
3-(1H-pyrazol-1-ylmethyl)benzoic acid
CID 1263648
4-(1H-pyrazol-1-ylmethyl)benzoic acid
CID 6484268
9-(3,4-Diphenyl-pyrazol-1-yl)-nonanoic acid
CID 10090958
2-(Tert-butoxycarbonylamino)-2-(4-pyrazol-1-ylphenyl)acetic acid
CID 118723770
3,4-diphenyl-1H-pyrazole-1-octanoic acid
CID 15725733
9-(3,4-Diphenylpyrazol-1-yl)nonanoic acid;hydrate
CID 67794220
2-Amino-2-(4-pyrazol-1-ylphenyl)acetic acid;hydrochloride
CID 118723771
4-(4-methylphenyl)-2-(3-methyl-1H-pyrazol-1-yl)-4-oxobutanoic acid
CID 2950471
4-(4-methylphenyl)-4-oxo-2-(1H-pyrazol-1-yl)butanoic acid
CID 2951417
Benzeneacetic acid, 4-(1H-pyrazol-1-ylmethyl)-
CID 10262749

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-pyrazol-1-ylacetic acid?
The IUPAC name of 2-phenyl-2-pyrazol-1-ylacetic acid (CID 13047015) is 2-phenyl-2-pyrazol-1-ylacetic acid.
What is the SMILES notation for 2-phenyl-2-pyrazol-1-ylacetic acid?
The canonical SMILES for 2-phenyl-2-pyrazol-1-ylacetic acid is O=C(O)C(c1ccccc1)n1cccn1.
What is the InChIKey of 2-phenyl-2-pyrazol-1-ylacetic acid?
The InChIKey is AMAPMVWSJNXHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11(15)10(13-8-4-7-12-13)9-5-2-1-3-6-9/h1-8,10H,(H,14,15).
What are the key properties of 2-phenyl-2-pyrazol-1-ylacetic acid?
2-phenyl-2-pyrazol-1-ylacetic acid has a molecular weight of 202.21 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-pyrazol-1-ylacetic acid is sourced from PubChem (CID 13047015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).