N-cyclohexyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide

C21H22N4O2S — CID 1049764

IUPACN-cyclohexyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)NC2CCCCC2)cnn1-c1ccccc1)c1cccs1
InChIInChI=1S/C21H22N4O2S/c26-20(23-15-8-3-1-4-9-15)17-14-22-25(16-10-5-2-6-11-16)19(17)24-21(27)18-12-7-13-28-18/h2,5-7,10-15H,1,3-4,8-9H2,(H,23,26)(H,24,27)
InChIKeyLUYHWDZSJOXFAC-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.25
Rot. Bonds5

About N-cyclohexyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide

N-cyclohexyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide (PubChem CID 1049764) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-cyclohexyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide
PubChem CID1049764
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-cyclohexyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)NC2CCCCC2)cnn1-c1ccccc1)c1cccs1
InChIInChI=1S/C21H22N4O2S/c26-20(23-15-8-3-1-4-9-15)17-14-22-25(16-10-5-2-6-11-16)19(17)24-21(27)18-12-7-13-28-18/h2,5-7,10-15H,1,3-4,8-9H2,(H,23,26)(H,24,27)
InChIKeyLUYHWDZSJOXFAC-UHFFFAOYSA-N
XLogP4.25
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide (CID 1049764) is N-cyclohexyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide is O=C(Nc1c(C(=O)NC2CCCCC2)cnn1-c1ccccc1)c1cccs1.
What is the InChIKey of N-cyclohexyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide?
The InChIKey is LUYHWDZSJOXFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c26-20(23-15-8-3-1-4-9-15)17-14-22-25(16-10-5-2-6-11-16)19(17)24-21(27)18-12-7-13-28-18/h2,5-7,10-15H,1,3-4,8-9H2,(H,23,26)(H,24,27).
What are the key properties of N-cyclohexyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide?
N-cyclohexyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 1049764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).