N-(2-methylcyclohexyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C21H23N3OS — CID 4856328

IUPACN-(2-methylcyclohexyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCC1CCCCC1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C21H23N3OS/c1-15-8-5-6-11-18(15)22-21(25)17-14-24(16-9-3-2-4-10-16)23-20(17)19-12-7-13-26-19/h2-4,7,9-10,12-15,18H,5-6,8,11H2,1H3,(H,22,25)
InChIKeyPSECHVGJFFWNTD-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.91
Rot. Bonds4

About N-(2-methylcyclohexyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-(2-methylcyclohexyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 4856328) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID4856328
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-(2-methylcyclohexyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCC1CCCCC1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C21H23N3OS/c1-15-8-5-6-11-18(15)22-21(25)17-14-24(16-9-3-2-4-10-16)23-20(17)19-12-7-13-26-19/h2-4,7,9-10,12-15,18H,5-6,8,11H2,1H3,(H,22,25)
InChIKeyPSECHVGJFFWNTD-UHFFFAOYSA-N
XLogP4.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-methylcyclohexyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 4856328) is N-(2-methylcyclohexyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-methylcyclohexyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is CC1CCCCC1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-(2-methylcyclohexyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is PSECHVGJFFWNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-15-8-5-6-11-18(15)22-21(25)17-14-24(16-9-3-2-4-10-16)23-20(17)19-12-7-13-26-19/h2-4,7,9-10,12-15,18H,5-6,8,11H2,1H3,(H,22,25).
What are the key properties of N-(2-methylcyclohexyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-(2-methylcyclohexyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 4856328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).