1-(5-benzoyl-1H-pyrazol-3-yl)ethanone

C12H10N2O2 — CID 23250559

IUPAC1-(5-benzoyl-1H-pyrazol-3-yl)ethanone
SMILESCC(=O)c1cc(C(=O)c2ccccc2)[nH]n1
InChIInChI=1S/C12H10N2O2/c1-8(15)10-7-11(14-13-10)12(16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
InChIKeyHSLXHRLWFVEJDW-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.84
Rot. Bonds3

About 1-(5-benzoyl-1H-pyrazol-3-yl)ethanone

1-(5-benzoyl-1H-pyrazol-3-yl)ethanone (PubChem CID 23250559) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-(5-benzoyl-1H-pyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-benzoyl-1H-pyrazol-3-yl)ethanone
PubChem CID23250559
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name1-(5-benzoyl-1H-pyrazol-3-yl)ethanone
SMILESCC(=O)c1cc(C(=O)c2ccccc2)[nH]n1
InChIInChI=1S/C12H10N2O2/c1-8(15)10-7-11(14-13-10)12(16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
InChIKeyHSLXHRLWFVEJDW-UHFFFAOYSA-N
XLogP1.84
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-benzoyl-1H-pyrazol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Isopropyl-N'-(3-phenyl-2-propenylidene)-1H-pyrazole-5-carbohydrazide
CID 1606508
N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870913
3-phenyl-1H-pyrazole-5-carbohydrazide
CID 727014
5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
CID 6888929
5-cyclopropyl-N-(1-phenylpropylideneamino)-1H-pyrazole-3-carboxamide
CID 9616968
5-Methyl-2H-pyrazole-3-carboxylic acid (1-biphenyl-4-yl-ethylidene)-hydrazide
CID 9592732
N'-Benzylidene-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 6867349
5-Phenyl-1H-pyrazole-3-carbaldehyde
CID 575563
1-(1H-indazol-3-yl)ethan-1-one
CID 15684169
N-(3-acetylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 3240936
(Z)-4-oxo-4-(2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl)but-2-enoic acid
CID 1576276
5-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
CID 5343037

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzoyl-1H-pyrazol-3-yl)ethanone?
The IUPAC name of 1-(5-benzoyl-1H-pyrazol-3-yl)ethanone (CID 23250559) is 1-(5-benzoyl-1H-pyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(5-benzoyl-1H-pyrazol-3-yl)ethanone?
The canonical SMILES for 1-(5-benzoyl-1H-pyrazol-3-yl)ethanone is CC(=O)c1cc(C(=O)c2ccccc2)[nH]n1.
What is the InChIKey of 1-(5-benzoyl-1H-pyrazol-3-yl)ethanone?
The InChIKey is HSLXHRLWFVEJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-8(15)10-7-11(14-13-10)12(16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14).
What are the key properties of 1-(5-benzoyl-1H-pyrazol-3-yl)ethanone?
1-(5-benzoyl-1H-pyrazol-3-yl)ethanone has a molecular weight of 214.22 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzoyl-1H-pyrazol-3-yl)ethanone is sourced from PubChem (CID 23250559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).