N-(2-bromophenyl)-1,4-dimethylpyrazole-3-carboxamide

C12H12BrN3O — CID 110862780

IUPACN-(2-bromophenyl)-1,4-dimethylpyrazole-3-carboxamide
SMILESCc1cn(C)nc1C(=O)Nc1ccccc1Br
InChIInChI=1S/C12H12BrN3O/c1-8-7-16(2)15-11(8)12(17)14-10-6-4-3-5-9(10)13/h3-7H,1-2H3,(H,14,17)
InChIKeyOVEACBAIRBOMIZ-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.74
Rot. Bonds2

About N-(2-bromophenyl)-1,4-dimethylpyrazole-3-carboxamide

N-(2-bromophenyl)-1,4-dimethylpyrazole-3-carboxamide (PubChem CID 110862780) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is N-(2-bromophenyl)-1,4-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1,4-dimethylpyrazole-3-carboxamide
PubChem CID110862780
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC NameN-(2-bromophenyl)-1,4-dimethylpyrazole-3-carboxamide
SMILESCc1cn(C)nc1C(=O)Nc1ccccc1Br
InChIInChI=1S/C12H12BrN3O/c1-8-7-16(2)15-11(8)12(17)14-10-6-4-3-5-9(10)13/h3-7H,1-2H3,(H,14,17)
InChIKeyOVEACBAIRBOMIZ-UHFFFAOYSA-N
XLogP2.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110858040
4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262689
2-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 1214119
2-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]benzoate
CID 7067902
4-bromo-N-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262777
N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide
CID 110860027
N-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide
CID 166321071
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 835667
N-(2-bromophenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110862839
N-(2-bromophenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696235
(2-bromophenyl)carbamic acid
CID 15021878
N-(2-bromophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 33142040

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1,4-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-1,4-dimethylpyrazole-3-carboxamide (CID 110862780) is N-(2-bromophenyl)-1,4-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-1,4-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-1,4-dimethylpyrazole-3-carboxamide is Cc1cn(C)nc1C(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-1,4-dimethylpyrazole-3-carboxamide?
The InChIKey is OVEACBAIRBOMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8-7-16(2)15-11(8)12(17)14-10-6-4-3-5-9(10)13/h3-7H,1-2H3,(H,14,17).
What are the key properties of N-(2-bromophenyl)-1,4-dimethylpyrazole-3-carboxamide?
N-(2-bromophenyl)-1,4-dimethylpyrazole-3-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1,4-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 110862780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).