3-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide

C8H12BrN3O — CID 130679929

IUPAC3-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc(Br)nn1C
InChIInChI=1S/C8H12BrN3O/c1-5(2)10-8(13)6-4-7(9)11-12(6)3/h4-5H,1-3H3,(H,10,13)
InChIKeyXTUWLSHMWKWWCZ-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.32
Rot. Bonds2

About 3-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide

3-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide (PubChem CID 130679929) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 3-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
PubChem CID130679929
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name3-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc(Br)nn1C
InChIInChI=1S/C8H12BrN3O/c1-5(2)10-8(13)6-4-7(9)11-12(6)3/h4-5H,1-3H3,(H,10,13)
InChIKeyXTUWLSHMWKWWCZ-UHFFFAOYSA-N
XLogP1.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903308
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
Cyclaniliprole metabolite (YT-1327)
CID 165363159
2-bromo-4H,5H-pyrazolo(1,5-a)pyrazin-4-one
CID 153945182
2-bromo-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
CID 154668289
3-bromo-1-(propan-2-yl)-1H-pyrazole-5-carbaldehyde
CID 165668267
N-cyclopropyl-1-methyl-1H-pyrazole-5-carboxamide
CID 19475563
2,5-dimethyl-N-[3-(methylamino)butyl]pyrazole-3-carboxamide
CID 86813851
2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-3-carboxamide
CID 160965894
2-methyl-N-[(2R)-1,1,1-trifluorobutan-2-yl]pyrazole-3-carboxamide
CID 175710521
2-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyrazole-3-carboxamide
CID 175710530
2-(difluoromethyl)-N-propan-2-ylpyrazole-3-carboxamide
CID 19506828

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 3-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide (CID 130679929) is 3-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 3-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 3-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide is CC(C)NC(=O)c1cc(Br)nn1C.
What is the InChIKey of 3-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is XTUWLSHMWKWWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-5(2)10-8(13)6-4-7(9)11-12(6)3/h4-5H,1-3H3,(H,10,13).
What are the key properties of 3-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide?
3-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 246.11 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 130679929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).