(4-bromo-3,5-dimethylpyrazol-1-yl)-(4-chlorophenyl)methanone

C12H10BrClN2O — CID 674646

IUPAC(4-bromo-3,5-dimethylpyrazol-1-yl)-(4-chlorophenyl)methanone
SMILESCc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Br
InChIInChI=1S/C12H10BrClN2O/c1-7-11(13)8(2)16(15-7)12(17)9-3-5-10(14)6-4-9/h3-6H,1-2H3
InChIKeyKWVSJLDWXYHWHQ-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.60
Rot. Bonds1

About (4-bromo-3,5-dimethylpyrazol-1-yl)-(4-chlorophenyl)methanone

(4-bromo-3,5-dimethylpyrazol-1-yl)-(4-chlorophenyl)methanone (PubChem CID 674646) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylpyrazol-1-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylpyrazol-1-yl)-(4-chlorophenyl)methanone
PubChem CID674646
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name(4-bromo-3,5-dimethylpyrazol-1-yl)-(4-chlorophenyl)methanone
SMILESCc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Br
InChIInChI=1S/C12H10BrClN2O/c1-7-11(13)8(2)16(15-7)12(17)9-3-5-10(14)6-4-9/h3-6H,1-2H3
InChIKeyKWVSJLDWXYHWHQ-UHFFFAOYSA-N
XLogP3.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-((4-chlorophenyl)carbonyl)-3,5-dimethyl-1H-pyrazole
CID 685663
(4-Chloro-3,5-dimethylpyrazol-1-yl)-(2-fluorophenyl)methanone
CID 674640
1-(3-bromo-4-methylbenzoyl)-3,5-dimethyl-1H-pyrazole
CID 675749
1-(4-chloro-2,3-difluorobenzoyl)-3,5-dimethyl-1H-pyrazole
CID 2211769
1-(4-Chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 5163692
1-(3,4-Dichlorobenzoyl)-3,5-dimethyl-1H-pyrazole
CID 599596
1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole
CID 785958
4-chloro-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 832057
(4-Chloro-3,5-dimethylpyrazol-1-yl)-(3,4-dichlorophenyl)methanone
CID 674655
4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 703686
(4-Chloro-3,5-dimethylpyrazol-1-yl)-(4-methylphenyl)methanone
CID 145979441
(4-Chloro-3,5-dimethylpyrazol-1-yl)-(2-methylphenyl)methanone
CID 145992202

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylpyrazol-1-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (4-bromo-3,5-dimethylpyrazol-1-yl)-(4-chlorophenyl)methanone (CID 674646) is (4-bromo-3,5-dimethylpyrazol-1-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (4-bromo-3,5-dimethylpyrazol-1-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (4-bromo-3,5-dimethylpyrazol-1-yl)-(4-chlorophenyl)methanone is Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylpyrazol-1-yl)-(4-chlorophenyl)methanone?
The InChIKey is KWVSJLDWXYHWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c1-7-11(13)8(2)16(15-7)12(17)9-3-5-10(14)6-4-9/h3-6H,1-2H3.
What are the key properties of (4-bromo-3,5-dimethylpyrazol-1-yl)-(4-chlorophenyl)methanone?
(4-bromo-3,5-dimethylpyrazol-1-yl)-(4-chlorophenyl)methanone has a molecular weight of 313.58 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylpyrazol-1-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 674646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).