N'-(cyclohexanecarbonyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide

C21H22N4O2S — CID 8839263

IUPACN'-(cyclohexanecarbonyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)C1CCCCC1)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C21H22N4O2S/c26-20(15-8-3-1-4-9-15)22-23-21(27)18-14-17(19-12-7-13-28-19)24-25(18)16-10-5-2-6-11-16/h2,5-7,10-15H,1,3-4,8-9H2,(H,22,26)(H,23,27)
InChIKeyZUTCUTMSVNKUAD-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.94
Rot. Bonds4

About N'-(cyclohexanecarbonyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide

N'-(cyclohexanecarbonyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide (PubChem CID 8839263) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N'-(cyclohexanecarbonyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclohexanecarbonyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide
PubChem CID8839263
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN'-(cyclohexanecarbonyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)C1CCCCC1)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C21H22N4O2S/c26-20(15-8-3-1-4-9-15)22-23-21(27)18-14-17(19-12-7-13-28-19)24-25(18)16-10-5-2-6-11-16/h2,5-7,10-15H,1,3-4,8-9H2,(H,22,26)(H,23,27)
InChIKeyZUTCUTMSVNKUAD-UHFFFAOYSA-N
XLogP3.94
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-fluorobenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide
CID 7946021
(4-hydroxypiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 9245712
N-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514813
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 16606177
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 26384005
[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 42761837
[1-(4-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 42761815
[1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 42662964
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 18135858
[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812780
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 40551893
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7249590

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexanecarbonyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide?
The IUPAC name of N'-(cyclohexanecarbonyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide (CID 8839263) is N'-(cyclohexanecarbonyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(cyclohexanecarbonyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide?
The canonical SMILES for N'-(cyclohexanecarbonyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide is O=C(NNC(=O)C1CCCCC1)c1cc(-c2cccs2)nn1-c1ccccc1.
What is the InChIKey of N'-(cyclohexanecarbonyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide?
The InChIKey is ZUTCUTMSVNKUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c26-20(15-8-3-1-4-9-15)22-23-21(27)18-14-17(19-12-7-13-28-19)24-25(18)16-10-5-2-6-11-16/h2,5-7,10-15H,1,3-4,8-9H2,(H,22,26)(H,23,27).
What are the key properties of N'-(cyclohexanecarbonyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide?
N'-(cyclohexanecarbonyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide has a molecular weight of 394.50 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexanecarbonyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide is sourced from PubChem (CID 8839263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).