3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide

C19H26N4O3S — CID 53142985

IUPAC3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide
SMILESCCc1cccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H26N4O3S/c1-3-15-9-8-10-16(13-15)20-18(24)17-14-22(2)21-19(17)27(25,26)23-11-6-4-5-7-12-23/h8-10,13-14H,3-7,11-12H2,1-2H3,(H,20,24)
InChIKeyJIMJIHKXJRDBSW-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.80
Rot. Bonds5

About 3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide

3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 53142985) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide
PubChem CID53142985
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide
SMILESCCc1cccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H26N4O3S/c1-3-15-9-8-10-16(13-15)20-18(24)17-14-22(2)21-19(17)27(25,26)23-11-6-4-5-7-12-23/h8-10,13-14H,3-7,11-12H2,1-2H3,(H,20,24)
InChIKeyJIMJIHKXJRDBSW-UHFFFAOYSA-N
XLogP2.80
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-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

methyl 3-[[3-(azepan-1-ylsulfonyl)-1-methylpyrazole-4-carbonyl]amino]benzoate
CID 53142997
3-(azepan-1-ylsulfonyl)-N-(3,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 53143001
N-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
CID 83273764
3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 53143017
N-(3-ethylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349254
N-(3-ethylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7935127
N-(3-ethylphenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 4828738
4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-(3-ethylphenyl)benzamide
CID 53139585
N-[(4-chlorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
CID 53142858
N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 42996600
1-ethyl-N-(3-methylphenyl)-3-thiomorpholin-4-ylsulfonylpyrazole-4-carboxamide
CID 53142683
3-(azepan-1-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 53142922

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide (CID 53142985) is 3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide is CCc1cccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is JIMJIHKXJRDBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-3-15-9-8-10-16(13-15)20-18(24)17-14-22(2)21-19(17)27(25,26)23-11-6-4-5-7-12-23/h8-10,13-14H,3-7,11-12H2,1-2H3,(H,20,24).
What are the key properties of 3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide?
3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 53142985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).