3-cyclohexyl-1-methyl-N-[4-(methylcarbamoyl)phenyl]thieno[3,2-c]pyrazole-5-carboxamide

C21H24N4O2S — CID 71768825

IUPAC3-cyclohexyl-1-methyl-N-[4-(methylcarbamoyl)phenyl]thieno[3,2-c]pyrazole-5-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc3c(s2)c(C2CCCCC2)nn3C)cc1
InChIInChI=1S/C21H24N4O2S/c1-22-20(26)14-8-10-15(11-9-14)23-21(27)17-12-16-19(28-17)18(24-25(16)2)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyHXIQCDRWGPJYEK-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.29
Rot. Bonds4

About 3-cyclohexyl-1-methyl-N-[4-(methylcarbamoyl)phenyl]thieno[3,2-c]pyrazole-5-carboxamide

3-cyclohexyl-1-methyl-N-[4-(methylcarbamoyl)phenyl]thieno[3,2-c]pyrazole-5-carboxamide (PubChem CID 71768825) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-N-[4-(methylcarbamoyl)phenyl]thieno[3,2-c]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-N-[4-(methylcarbamoyl)phenyl]thieno[3,2-c]pyrazole-5-carboxamide
PubChem CID71768825
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name3-cyclohexyl-1-methyl-N-[4-(methylcarbamoyl)phenyl]thieno[3,2-c]pyrazole-5-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc3c(s2)c(C2CCCCC2)nn3C)cc1
InChIInChI=1S/C21H24N4O2S/c1-22-20(26)14-8-10-15(11-9-14)23-21(27)17-12-16-19(28-17)18(24-25(16)2)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyHXIQCDRWGPJYEK-UHFFFAOYSA-N
XLogP4.29
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 651459
N-benzyl-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 680356
CB2 Inhibitor, 2
CID 16376054
N,1-dimethyl-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1484439
3-methyl-N-(3-methylphenyl)-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 755153
N-(4-acetylphenyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1452121
Cyclohexanecarboxylic acid [4-(2-methyl-4,5-dihydro-2H-9-thia-1,2,6-triaza-cyclopenta[e]azulene-6-carbonyl)-phenyl]-amide
CID 19699114
N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46175179
N-[1-(4-acetylpiperazin-1-yl)propan-2-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46231930
N-[1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 46231932
N,3-dimethyl-N,1-diphenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 747859
N-{2-[butyl(methyl)amino]ethyl}-3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 20857612

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-N-[4-(methylcarbamoyl)phenyl]thieno[3,2-c]pyrazole-5-carboxamide?
The IUPAC name of 3-cyclohexyl-1-methyl-N-[4-(methylcarbamoyl)phenyl]thieno[3,2-c]pyrazole-5-carboxamide (CID 71768825) is 3-cyclohexyl-1-methyl-N-[4-(methylcarbamoyl)phenyl]thieno[3,2-c]pyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclohexyl-1-methyl-N-[4-(methylcarbamoyl)phenyl]thieno[3,2-c]pyrazole-5-carboxamide?
The canonical SMILES for 3-cyclohexyl-1-methyl-N-[4-(methylcarbamoyl)phenyl]thieno[3,2-c]pyrazole-5-carboxamide is CNC(=O)c1ccc(NC(=O)c2cc3c(s2)c(C2CCCCC2)nn3C)cc1.
What is the InChIKey of 3-cyclohexyl-1-methyl-N-[4-(methylcarbamoyl)phenyl]thieno[3,2-c]pyrazole-5-carboxamide?
The InChIKey is HXIQCDRWGPJYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-22-20(26)14-8-10-15(11-9-14)23-21(27)17-12-16-19(28-17)18(24-25(16)2)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 3-cyclohexyl-1-methyl-N-[4-(methylcarbamoyl)phenyl]thieno[3,2-c]pyrazole-5-carboxamide?
3-cyclohexyl-1-methyl-N-[4-(methylcarbamoyl)phenyl]thieno[3,2-c]pyrazole-5-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-N-[4-(methylcarbamoyl)phenyl]thieno[3,2-c]pyrazole-5-carboxamide is sourced from PubChem (CID 71768825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).