N-(2-bromo-4-methylphenyl)-1-methylpyrazole-3-carboxamide

C12H12BrN3O — CID 832004

IUPACN-(2-bromo-4-methylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccn(C)n2)c(Br)c1
InChIInChI=1S/C12H12BrN3O/c1-8-3-4-10(9(13)7-8)14-12(17)11-5-6-16(2)15-11/h3-7H,1-2H3,(H,14,17)
InChIKeyVIDFDVRAHGVDSJ-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.74
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-1-methylpyrazole-3-carboxamide

N-(2-bromo-4-methylphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 832004) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID832004
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC NameN-(2-bromo-4-methylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccn(C)n2)c(Br)c1
InChIInChI=1S/C12H12BrN3O/c1-8-3-4-10(9(13)7-8)14-12(17)11-5-6-16(2)15-11/h3-7H,1-2H3,(H,14,17)
InChIKeyVIDFDVRAHGVDSJ-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-N-(2,4-difluorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 891679
N-(2,3-dihydro-1H-inden-5-yl)-1-ethylpyrazole-3-carboxamide
CID 4342282
N-(4-{N-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)isonicotinamide
CID 5454901
4-bromo-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 790519
N-[2-(2-bromoanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 9426910
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 9508334
N-(2-bromophenyl)-2-(5,6,7,8-tetrahydrocyclohepta[c]pyrazol-2(4H)-yl)acetamide
CID 16195572
N-(2-bromophenyl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 831954
4-bromo-N-(2,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 892592
N-(2,4-dibromophenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1009261
N-(2-bromo-4-methylphenyl)-3-(1-ethyl-1H-pyrazol-4-yl)acrylamide
CID 1224522
N-(4-bromophenyl)-1,5-dimethyl-1H-pyrazole-4-carboxamide
CID 1225284

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-1-methylpyrazole-3-carboxamide (CID 832004) is N-(2-bromo-4-methylphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-1-methylpyrazole-3-carboxamide is Cc1ccc(NC(=O)c2ccn(C)n2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is VIDFDVRAHGVDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8-3-4-10(9(13)7-8)14-12(17)11-5-6-16(2)15-11/h3-7H,1-2H3,(H,14,17).
What are the key properties of N-(2-bromo-4-methylphenyl)-1-methylpyrazole-3-carboxamide?
N-(2-bromo-4-methylphenyl)-1-methylpyrazole-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-bromo-4-methylphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 832004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).