(2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone

C12H11ClN2O — CID 785958

IUPAC(2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2ccccc2Cl)n1
InChIInChI=1S/C12H11ClN2O/c1-8-7-9(2)15(14-8)12(16)10-5-3-4-6-11(10)13/h3-7H,1-2H3
InChIKeyIARJJCVPPPWSAK-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.84
Rot. Bonds1

About (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone

(2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 785958) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone
PubChem CID785958
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name(2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2ccccc2Cl)n1
InChIInChI=1S/C12H11ClN2O/c1-8-7-9(2)15(14-8)12(16)10-5-3-4-6-11(10)13/h3-7H,1-2H3
InChIKeyIARJJCVPPPWSAK-UHFFFAOYSA-N
XLogP2.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone 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

4-chloro-1-((4-chlorophenyl)carbonyl)-3,5-dimethyl-1H-pyrazole
CID 685663
N-(2-Chloro-4-Fluorobenzyl)-4-[(3,5-Dimethyl-1h-Pyrazol-1-Yl)methyl]benzamide
CID 91820715
(4-Chloro-3,5-dimethylpyrazol-1-yl)-(2-fluorophenyl)methanone
CID 674640
1-(4-chloro-2,3-difluorobenzoyl)-3,5-dimethyl-1H-pyrazole
CID 2211769
(4-Chloro-3,5-dimethylpyrazol-1-yl)-(3-nitrophenyl)methanone
CID 2257691
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
2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 7969446
1-(3,4-Dichlorobenzoyl)-3,5-dimethyl-1H-pyrazole
CID 599596
(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1-phenylprop-2-en-1-one
CID 6048412
3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(4-methylphenyl)-2-propen-1-one
CID 6109270
N-[4-[3,5-Bis(trifluoromethyl)-1H-pyrazole-1-yl]phenyl]-2-chlorobenzamide
CID 9845758

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone (CID 785958) is (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone is Cc1cc(C)n(C(=O)c2ccccc2Cl)n1.
What is the InChIKey of (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is IARJJCVPPPWSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-7-9(2)15(14-8)12(16)10-5-3-4-6-11(10)13/h3-7H,1-2H3.
What are the key properties of (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
(2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone has a molecular weight of 234.69 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 785958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).