4-bromo-N-butan-2-yl-1,5-dimethylpyrazole-3-carboxamide

C10H16BrN3O — CID 19266203

IUPAC4-bromo-N-butan-2-yl-1,5-dimethylpyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1nn(C)c(C)c1Br
InChIInChI=1S/C10H16BrN3O/c1-5-6(2)12-10(15)9-8(11)7(3)14(4)13-9/h6H,5H2,1-4H3,(H,12,15)
InChIKeyILIDFKNEJCVQGX-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.02
Rot. Bonds3

About 4-bromo-N-butan-2-yl-1,5-dimethylpyrazole-3-carboxamide

4-bromo-N-butan-2-yl-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 19266203) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-bromo-N-butan-2-yl-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-butan-2-yl-1,5-dimethylpyrazole-3-carboxamide
PubChem CID19266203
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name4-bromo-N-butan-2-yl-1,5-dimethylpyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1nn(C)c(C)c1Br
InChIInChI=1S/C10H16BrN3O/c1-5-6(2)12-10(15)9-8(11)7(3)14(4)13-9/h6H,5H2,1-4H3,(H,12,15)
InChIKeyILIDFKNEJCVQGX-UHFFFAOYSA-N
XLogP2.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-butan-2-yl-1,5-dimethylpyrazole-3-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-cyclohexyl-1-methyl-1H-pyrazole-5-carboxamide
CID 750357
4-bromo-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903308
4-bromo-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 843437
4-bromo-N-cyclohexyl-1-methyl-1H-pyrazole-3-carboxamide
CID 661401
4-chloro-N-cyclopentyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 832003
WO2021250648, Example 11
CID 162396380
WO2021250648, Example 72
CID 162396437
N-Isobutyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 19279617
4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide
CID 44823734
4-Bromo-1,3-dimethyl-N~5~-(1-methyl-2-morpholinoethyl)-1H-pyrazole-5-carboxamide
CID 4770997
(4-bromo-1-ethylpyrazol-5-yl)-N-cyclohexylcarboxamide
CID 892385
4-Bromo-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
CID 11601224

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-butan-2-yl-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-butan-2-yl-1,5-dimethylpyrazole-3-carboxamide (CID 19266203) is 4-bromo-N-butan-2-yl-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-butan-2-yl-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-butan-2-yl-1,5-dimethylpyrazole-3-carboxamide is CCC(C)NC(=O)c1nn(C)c(C)c1Br.
What is the InChIKey of 4-bromo-N-butan-2-yl-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is ILIDFKNEJCVQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-5-6(2)12-10(15)9-8(11)7(3)14(4)13-9/h6H,5H2,1-4H3,(H,12,15).
What are the key properties of 4-bromo-N-butan-2-yl-1,5-dimethylpyrazole-3-carboxamide?
4-bromo-N-butan-2-yl-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 274.16 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-butan-2-yl-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19266203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).