1-(4-chlorophenyl)-2-pyrazol-1-ylethanone

C11H9ClN2O — CID 43798058

IUPAC1-(4-chlorophenyl)-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2O/c12-10-4-2-9(3-5-10)11(15)8-14-7-1-6-13-14/h1-7H,8H2
InChIKeyDAKVWMOODDHQJR-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.42
Rot. Bonds3

About 1-(4-chlorophenyl)-2-pyrazol-1-ylethanone

1-(4-chlorophenyl)-2-pyrazol-1-ylethanone (PubChem CID 43798058) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-pyrazol-1-ylethanone
PubChem CID43798058
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name1-(4-chlorophenyl)-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2O/c12-10-4-2-9(3-5-10)11(15)8-14-7-1-6-13-14/h1-7H,8H2
InChIKeyDAKVWMOODDHQJR-UHFFFAOYSA-N
XLogP2.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-2-pyrazol-1-ylethanone 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

1-Phenyl-2-(1H-pyrazol-1-yl)ethanone
CID 2766375
(3,4-dichlorophenyl)(1H-pyrazol-1-yl)methanone
CID 674628
4-chloro-1-(2-chlorobenzoyl)-1H-pyrazole
CID 674633
1-(4-Chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 5163692
(Z)-1-(4-chlorophenyl)-3-(dimethylamino)-2-(3,5-dimethylpyrazol-1-yl)prop-2-en-1-one
CID 6517721
(4-Chloro-phenyl)-(2-methyl-2H-pyrazol-3-yl)-methanone
CID 603786
1-(4-Chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 2809209
4-chloro-N'-[(1-ethyl-1H-pyrazol-4-yl)methylene]benzohydrazide
CID 5410821
4-chloro-N'-[(1-methyl-1H-pyrazol-5-yl)methylene]benzohydrazide
CID 5412410
1-(4-methylphenyl)-2-(1H-pyrazol-1-yl)-1-ethanone
CID 1475623
(2-Chloro-4,5-difluorophenyl)-pyrazol-1-ylmethanone
CID 747176
1-Azolyl-4-phenyl-2-butanone, 5
CID 44604126

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-pyrazol-1-ylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-pyrazol-1-ylethanone (CID 43798058) is 1-(4-chlorophenyl)-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-pyrazol-1-ylethanone?
The InChIKey is DAKVWMOODDHQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-10-4-2-9(3-5-10)11(15)8-14-7-1-6-13-14/h1-7H,8H2.
What are the key properties of 1-(4-chlorophenyl)-2-pyrazol-1-ylethanone?
1-(4-chlorophenyl)-2-pyrazol-1-ylethanone has a molecular weight of 220.66 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-pyrazol-1-ylethanone is sourced from PubChem (CID 43798058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).