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

C12H10BrClN2O — CID 115814983

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(2-chloro-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2c(Br)cnn2C)c1Cl
InChIInChI=1S/C12H10BrClN2O/c1-7-4-3-5-8(10(7)14)12(17)11-9(13)6-15-16(11)2/h3-6H,1-2H3
InChIKeyPGZZSOHWRUYDMM-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.38
Rot. Bonds2

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

(4-bromo-1-methylpyrazol-5-yl)-(2-chloro-3-methylphenyl)methanone (PubChem CID 115814983) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(2-chloro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(2-chloro-3-methylphenyl)methanone
PubChem CID115814983
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(2-chloro-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2c(Br)cnn2C)c1Cl
InChIInChI=1S/C12H10BrClN2O/c1-7-4-3-5-8(10(7)14)12(17)11-9(13)6-15-16(11)2/h3-6H,1-2H3
InChIKeyPGZZSOHWRUYDMM-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

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Related Compounds

[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone
CID 115804288
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone
CID 115806088
(2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 107984639
(4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877543
(4-bromo-1-methylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanone
CID 115814986
(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
CID 115815019
(2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114642162
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone
CID 115815257
(4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanone
CID 114641496
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 114639691
(3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 114970193
(4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone
CID 105135299

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(2-chloro-3-methylphenyl)methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(2-chloro-3-methylphenyl)methanone (CID 115814983) is (4-bromo-1-methylpyrazol-5-yl)-(2-chloro-3-methylphenyl)methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(2-chloro-3-methylphenyl)methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(2-chloro-3-methylphenyl)methanone is Cc1cccc(C(=O)c2c(Br)cnn2C)c1Cl.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(2-chloro-3-methylphenyl)methanone?
The InChIKey is PGZZSOHWRUYDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c1-7-4-3-5-8(10(7)14)12(17)11-9(13)6-15-16(11)2/h3-6H,1-2H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(2-chloro-3-methylphenyl)methanone?
(4-bromo-1-methylpyrazol-5-yl)-(2-chloro-3-methylphenyl)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 (4-bromo-1-methylpyrazol-5-yl)-(2-chloro-3-methylphenyl)methanone is sourced from PubChem (CID 115814983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).