(3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone

C13H11BrCl2N2O — CID 107944773

IUPAC(3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H11BrCl2N2O/c1-2-3-18-12(11(16)7-17-18)13(19)8-4-9(14)6-10(15)5-8/h4-7H,2-3H2,1H3
InChIKeyDYRYJKUPJSMOSD-UHFFFAOYSA-N
MW362.05 g/mol
LogP4.59
Rot. Bonds4

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

(3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone (PubChem CID 107944773) has the molecular formula C13H11BrCl2N2O and a molecular weight of 362.05 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
PubChem CID107944773
Molecular FormulaC13H11BrCl2N2O
Molecular Weight362.05 g/mol
Exact Mass359.94
IUPAC Name(3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H11BrCl2N2O/c1-2-3-18-12(11(16)7-17-18)13(19)8-4-9(14)6-10(15)5-8/h4-7H,2-3H2,1H3
InChIKeyDYRYJKUPJSMOSD-UHFFFAOYSA-N
XLogP4.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.05
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-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

(3-bromo-5-chlorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 107944833
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114642895
(4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone
CID 114639545
(4-amino-3-bromophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669787
(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107996709
(4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone
CID 114640551
(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone
CID 105130996
(3-amino-5-bromophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114670517
(4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone
CID 114639191
(4-amino-3,5-dichlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114671119
(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanone
CID 106754783
(4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114667997

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone (CID 107944773) is (3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone is CCCn1ncc(Cl)c1C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
The InChIKey is DYRYJKUPJSMOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2O/c1-2-3-18-12(11(16)7-17-18)13(19)8-4-9(14)6-10(15)5-8/h4-7H,2-3H2,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
(3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone has a molecular weight of 362.05 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 107944773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).