N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide

C19H15BrClN3O2 — CID 16952514

IUPACN-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)nn1C
InChIInChI=1S/C19H15BrClN3O2/c1-11-9-17(23-24(11)2)19(26)22-16-8-7-12(20)10-14(16)18(25)13-5-3-4-6-15(13)21/h3-10H,1-2H3,(H,22,26)
InChIKeyHJFCXVCOQBIHHS-UHFFFAOYSA-N
MW432.71 g/mol
LogP4.63
Rot. Bonds4

About N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide

N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 16952514) has the molecular formula C19H15BrClN3O2 and a molecular weight of 432.71 g/mol. Its IUPAC name is N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID16952514
Molecular FormulaC19H15BrClN3O2
Molecular Weight432.71 g/mol
Exact Mass431.00
IUPAC NameN-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)nn1C
InChIInChI=1S/C19H15BrClN3O2/c1-11-9-17(23-24(11)2)19(26)22-16-8-7-12(20)10-14(16)18(25)13-5-3-4-6-15(13)21/h3-10H,1-2H3,(H,22,26)
InChIKeyHJFCXVCOQBIHHS-UHFFFAOYSA-N
XLogP4.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.71
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-ethoxybenzamide
CID 3526024
1,5-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110685790
(5-bromo-2-methylphenyl)-(2-chlorophenyl)methanone
CID 114963344
N-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 110858370
N-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 78884016
N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2,4-dinitrobenzamide
CID 23769969
(5-bromo-2-imidazol-1-ylphenyl)-(2-chlorophenyl)methanone
CID 21497412
5-bromo-N-(2-chlorophenyl)-2-methylbenzamide
CID 65306919
N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide
CID 23878524
N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 35324488
1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide
CID 78904439
2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
CID 39854030

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide (CID 16952514) is N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)nn1C.
What is the InChIKey of N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is HJFCXVCOQBIHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClN3O2/c1-11-9-17(23-24(11)2)19(26)22-16-8-7-12(20)10-14(16)18(25)13-5-3-4-6-15(13)21/h3-10H,1-2H3,(H,22,26).
What are the key properties of N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide?
N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 432.71 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 16952514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).