(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone

C12H10Cl2N2O — CID 54068469

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H10Cl2N2O/c1-2-16-11(10(14)7-15-16)12(17)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3
InChIKeyMESNOVHHECIYDK-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.44
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone

(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone (PubChem CID 54068469) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone
PubChem CID54068469
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H10Cl2N2O/c1-2-16-11(10(14)7-15-16)12(17)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3
InChIKeyMESNOVHHECIYDK-UHFFFAOYSA-N
XLogP3.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)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-propylpyrazol-5-yl)-(3-methylphenyl)methanone
CID 114639191
(4-aminophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114668108
(4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114671121
(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 57229861
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone
CID 114639062
(3-amino-5-bromophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114670517
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130314
(2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 115803888
(3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone
CID 43161643
(3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107944773
(4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone
CID 114019163
(3-aminophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668097

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone (CID 54068469) is (4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone is CCn1ncc(Cl)c1C(=O)c1cccc(Cl)c1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone?
The InChIKey is MESNOVHHECIYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-2-16-11(10(14)7-15-16)12(17)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone?
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone has a molecular weight of 269.13 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone is sourced from PubChem (CID 54068469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).