(2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone

C12H10BrClN2O — CID 107984639

IUPAC(2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
SMILESCc1cccc(C(=O)c2c(Cl)cnn2C)c1Br
InChIInChI=1S/C12H10BrClN2O/c1-7-4-3-5-8(10(7)13)12(17)11-9(14)6-15-16(11)2/h3-6H,1-2H3
InChIKeyVSIBTLLQDGOUIY-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.38
Rot. Bonds2

About (2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone

(2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone (PubChem CID 107984639) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
PubChem CID107984639
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name(2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
SMILESCc1cccc(C(=O)c2c(Cl)cnn2C)c1Br
InChIInChI=1S/C12H10BrClN2O/c1-7-4-3-5-8(10(7)13)12(17)11-9(14)6-15-16(11)2/h3-6H,1-2H3
InChIKeyVSIBTLLQDGOUIY-UHFFFAOYSA-N
XLogP3.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-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

(4-bromo-1-methylpyrazol-5-yl)-(2-chloro-3-methylphenyl)methanone
CID 115814983
(4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone
CID 105132628
(3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 115809410
[4-bromo-2-(trifluoromethyl)phenyl]-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114639788
(4-chloro-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanone
CID 105132581
(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone
CID 115805833
(2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 115803888
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone
CID 115815257
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 114023836
(4-chloro-1-methylpyrazol-5-yl)-(3,5-dimethyl-2-pyridinyl)methanone
CID 114642305
(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanone
CID 114638889

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone (CID 107984639) is (2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone is Cc1cccc(C(=O)c2c(Cl)cnn2C)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone?
The InChIKey is VSIBTLLQDGOUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c1-7-4-3-5-8(10(7)13)12(17)11-9(14)6-15-16(11)2/h3-6H,1-2H3.
What are the key properties of (2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone?
(2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone has a molecular weight of 313.58 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 107984639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).