N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide

C12H12BrN3O — CID 82757494

IUPACN-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2cnn(C)c2)c1
InChIInChI=1S/C12H12BrN3O/c1-8-3-4-10(13)11(5-8)15-12(17)9-6-14-16(2)7-9/h3-7H,1-2H3,(H,15,17)
InChIKeyIDVXOFHZFXDEIZ-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.74
Rot. Bonds2

About N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide

N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 82757494) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
PubChem CID82757494
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC NameN-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2cnn(C)c2)c1
InChIInChI=1S/C12H12BrN3O/c1-8-3-4-10(13)11(5-8)15-12(17)9-6-14-16(2)7-9/h3-7H,1-2H3,(H,15,17)
InChIKeyIDVXOFHZFXDEIZ-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

(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963931
N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 82706059
N-[2-bromo-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 107790494
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 103824882
ethyl 3-bromo-4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 43623829
N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide
CID 79729400
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 28742303
N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 9209583
N-(4-bromo-2-carbamothioylphenyl)-1-methylpyrazole-4-carboxamide
CID 82703356
N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide
CID 82707112
(3S,4R)-3-amino-N-(2-bromo-5-methylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 128887628

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide (CID 82757494) is N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide is Cc1ccc(Br)c(NC(=O)c2cnn(C)c2)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is IDVXOFHZFXDEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8-3-4-10(13)11(5-8)15-12(17)9-6-14-16(2)7-9/h3-7H,1-2H3,(H,15,17).
What are the key properties of N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide?
N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-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-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 82757494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).