(4-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanone

C11H8BrClN2O — CID 43805096

IUPAC(4-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)c2ccc(Br)cc2Cl)cn1
InChIInChI=1S/C11H8BrClN2O/c1-15-6-7(5-14-15)11(16)9-3-2-8(12)4-10(9)13/h2-6H,1H3
InChIKeyNKMVKAZRRFCYJL-UHFFFAOYSA-N
MW299.56 g/mol
LogP3.07
Rot. Bonds2

About (4-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanone

(4-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanone (PubChem CID 43805096) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanone
PubChem CID43805096
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name(4-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)c2ccc(Br)cc2Cl)cn1
InChIInChI=1S/C11H8BrClN2O/c1-15-6-7(5-14-15)11(16)9-3-2-8(12)4-10(9)13/h2-6H,1H3
InChIKeyNKMVKAZRRFCYJL-UHFFFAOYSA-N
XLogP3.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-bromo-2-chlorophenyl)-(1-methylpyrazol-4-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

(5-bromo-2-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963954
(4-bromo-3-chloro-2-fluorophenyl)-(1-methylpyrazol-4-yl)methanone
CID 106761787
(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963931
(4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone
CID 43805057
(4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone
CID 114963086
(2-chloro-4-methylphenyl)-(1-ethylpyrazol-4-yl)methanone
CID 106864825
(4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 115804548
(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-yl)methanone
CID 105082299
(3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone
CID 43161643
(4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976021
1-(5-bromo-2-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024071
(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone
CID 107944306

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of (4-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanone (CID 43805096) is (4-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)c2ccc(Br)cc2Cl)cn1.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanone?
The InChIKey is NKMVKAZRRFCYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c1-15-6-7(5-14-15)11(16)9-3-2-8(12)4-10(9)13/h2-6H,1H3.
What are the key properties of (4-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanone?
(4-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanone has a molecular weight of 299.56 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 43805096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).