4-bromo-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide

C12H12BrN3O — CID 19576393

IUPAC4-bromo-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2c(Br)cnn2C)c1
InChIInChI=1S/C12H12BrN3O/c1-8-4-3-5-9(6-8)15-12(17)11-10(13)7-14-16(11)2/h3-7H,1-2H3,(H,15,17)
InChIKeyFKIJPFGWFGTARM-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.74
Rot. Bonds2

About 4-bromo-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide

4-bromo-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide (PubChem CID 19576393) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide
PubChem CID19576393
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name4-bromo-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2c(Br)cnn2C)c1
InChIInChI=1S/C12H12BrN3O/c1-8-4-3-5-9(6-8)15-12(17)11-10(13)7-14-16(11)2/h3-7H,1-2H3,(H,15,17)
InChIKeyFKIJPFGWFGTARM-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

4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide
CID 19475191
N-(1,3-benzodioxol-5-yl)-4-bromo-1-methylpyrazole-5-carboxamide
CID 19579445
4-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 19475123
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(3-methylphenyl)urea
CID 137492363
4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 6467156
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide
CID 19411137
4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide
CID 135718787
1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methyl-3-(3-methylphenyl)thiourea
CID 19464862
4-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 19475234
4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide
CID 115375767
4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 19476743

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide (CID 19576393) is 4-bromo-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide is Cc1cccc(NC(=O)c2c(Br)cnn2C)c1.
What is the InChIKey of 4-bromo-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is FKIJPFGWFGTARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8-4-3-5-9(6-8)15-12(17)11-10(13)7-14-16(11)2/h3-7H,1-2H3,(H,15,17).
What are the key properties of 4-bromo-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide?
4-bromo-1-methyl-N-(3-methylphenyl)pyrazole-5-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 4-bromo-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19576393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).