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

C21H23N3OS — CID 2336059

IUPACN-(cyclohexylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(NCC1CCCCC1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C21H23N3OS/c25-21(22-14-16-8-3-1-4-9-16)18-15-24(17-10-5-2-6-11-17)23-20(18)19-12-7-13-26-19/h2,5-7,10-13,15-16H,1,3-4,8-9,14H2,(H,22,25)
InChIKeyVLIBGVONKMCUDZ-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.91
Rot. Bonds5

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

N-(cyclohexylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 2336059) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID2336059
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-(cyclohexylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(NCC1CCCCC1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C21H23N3OS/c25-21(22-14-16-8-3-1-4-9-16)18-15-24(17-10-5-2-6-11-17)23-20(18)19-12-7-13-26-19/h2,5-7,10-13,15-16H,1,3-4,8-9,14H2,(H,22,25)
InChIKeyVLIBGVONKMCUDZ-UHFFFAOYSA-N
XLogP4.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-(cyclohexylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 2336059) is N-(cyclohexylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is O=C(NCC1CCCCC1)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-(cyclohexylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is VLIBGVONKMCUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c25-21(22-14-16-8-3-1-4-9-16)18-15-24(17-10-5-2-6-11-17)23-20(18)19-12-7-13-26-19/h2,5-7,10-13,15-16H,1,3-4,8-9,14H2,(H,22,25).
What are the key properties of N-(cyclohexylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-(cyclohexylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2336059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).