3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide

C17H23N3O — CID 166195891

IUPAC3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide
SMILESCCCC(NC(=O)c1cn(C)nc1CC)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-4-9-16(13-10-7-6-8-11-13)18-17(21)14-12-20(3)19-15(14)5-2/h6-8,10-12,16H,4-5,9H2,1-3H3,(H,18,21)
InChIKeyOTNLDRLCAMSTQT-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.25
Rot. Bonds6

About 3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide

3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide (PubChem CID 166195891) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide
PubChem CID166195891
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide
SMILESCCCC(NC(=O)c1cn(C)nc1CC)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-4-9-16(13-10-7-6-8-11-13)18-17(21)14-12-20(3)19-15(14)5-2/h6-8,10-12,16H,4-5,9H2,1-3H3,(H,18,21)
InChIKeyOTNLDRLCAMSTQT-UHFFFAOYSA-N
XLogP3.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-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

N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103772742
3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine
CID 103932600
4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide
CID 39966907
N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103893927
(2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 114004974
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoic acid
CID 102810054
N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102809915
3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide
CID 102810885
N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 118796171
2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide
CID 107358466
3-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)-1-methylpyrazole-4-carboxamide
CID 103894208
3-ethyl-1-methyl-N-phenylmethoxypyrazole-4-carboxamide
CID 103893398

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide?
The IUPAC name of 3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide (CID 166195891) is 3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide is CCCC(NC(=O)c1cn(C)nc1CC)c1ccccc1.
What is the InChIKey of 3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide?
The InChIKey is OTNLDRLCAMSTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-9-16(13-10-7-6-8-11-13)18-17(21)14-12-20(3)19-15(14)5-2/h6-8,10-12,16H,4-5,9H2,1-3H3,(H,18,21).
What are the key properties of 3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide?
3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide is sourced from PubChem (CID 166195891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).