N-[3-(cyclohexylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-1-ethylpyrazole-3-carboxamide

C20H28N4O2S — CID 17373078

IUPACN-[3-(cyclohexylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2ccn(CC)n2)c1C(=O)NC1CCCCC1
InChIInChI=1S/C20H28N4O2S/c1-4-15-13(3)27-20(22-18(25)16-11-12-24(5-2)23-16)17(15)19(26)21-14-9-7-6-8-10-14/h11-12,14H,4-10H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyJSZYZDYRJJPBOQ-UHFFFAOYSA-N
MW388.54 g/mol
LogP4.15
Rot. Bonds6

About N-[3-(cyclohexylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-1-ethylpyrazole-3-carboxamide

N-[3-(cyclohexylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-1-ethylpyrazole-3-carboxamide (PubChem CID 17373078) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[3-(cyclohexylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-1-ethylpyrazole-3-carboxamide
PubChem CID17373078
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC NameN-[3-(cyclohexylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2ccn(CC)n2)c1C(=O)NC1CCCCC1
InChIInChI=1S/C20H28N4O2S/c1-4-15-13(3)27-20(22-18(25)16-11-12-24(5-2)23-16)17(15)19(26)21-14-9-7-6-8-10-14/h11-12,14H,4-10H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyJSZYZDYRJJPBOQ-UHFFFAOYSA-N
XLogP4.15
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(cyclohexylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-1-ethylpyrazole-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-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid
CID 6465710
(2R,3R)-3-[[3-(cyclopentylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 27527054
1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide
CID 146043892
N-[3-(cyclopropylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173725
2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19623357
(1R,6S)-6-[[3-(cyclopropylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 27522733
N-[3-[(2-ethoxyphenyl)carbamoyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]-1-ethylpyrazole-3-carboxamide
CID 17373012
2-[3-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500135
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-ethylpyrazole-3-carboxamide
CID 841817
ethyl 2-[[1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19276189
N-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide
CID 19262159
N-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 4867173

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(cyclohexylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-1-ethylpyrazole-3-carboxamide (CID 17373078) is N-[3-(cyclohexylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(cyclohexylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(cyclohexylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-1-ethylpyrazole-3-carboxamide is CCc1c(C)sc(NC(=O)c2ccn(CC)n2)c1C(=O)NC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is JSZYZDYRJJPBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-4-15-13(3)27-20(22-18(25)16-11-12-24(5-2)23-16)17(15)19(26)21-14-9-7-6-8-10-14/h11-12,14H,4-10H2,1-3H3,(H,21,26)(H,22,25).
What are the key properties of N-[3-(cyclohexylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-1-ethylpyrazole-3-carboxamide?
N-[3-(cyclohexylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 17373078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).