N-cyclohexyl-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide

C22H31N5O3S — CID 73349215

IUPACN-cyclohexyl-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide
SMILESCc1cc(C2CCN(C(=O)NC3CCCCC3)CC2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C22H31N5O3S/c1-16-15-21(27(25-16)19-7-9-20(10-8-19)31(23,29)30)17-11-13-26(14-12-17)22(28)24-18-5-3-2-4-6-18/h7-10,15,17-18H,2-6,11-14H2,1H3,(H,24,28)(H2,23,29,30)
InChIKeyLXZGECHVCZAULW-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.05
Rot. Bonds4

About N-cyclohexyl-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide

N-cyclohexyl-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide (PubChem CID 73349215) has the molecular formula C22H31N5O3S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-cyclohexyl-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide
PubChem CID73349215
Molecular FormulaC22H31N5O3S
Molecular Weight445.59 g/mol
Exact Mass445.21
IUPAC NameN-cyclohexyl-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide
SMILESCc1cc(C2CCN(C(=O)NC3CCCCC3)CC2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C22H31N5O3S/c1-16-15-21(27(25-16)19-7-9-20(10-8-19)31(23,29)30)17-11-13-26(14-12-17)22(28)24-18-5-3-2-4-6-18/h7-10,15,17-18H,2-6,11-14H2,1H3,(H,24,28)(H2,23,29,30)
InChIKeyLXZGECHVCZAULW-UHFFFAOYSA-N
XLogP3.05
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide (CID 73349215) is N-cyclohexyl-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide is Cc1cc(C2CCN(C(=O)NC3CCCCC3)CC2)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of N-cyclohexyl-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide?
The InChIKey is LXZGECHVCZAULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3S/c1-16-15-21(27(25-16)19-7-9-20(10-8-19)31(23,29)30)17-11-13-26(14-12-17)22(28)24-18-5-3-2-4-6-18/h7-10,15,17-18H,2-6,11-14H2,1H3,(H,24,28)(H2,23,29,30).
What are the key properties of N-cyclohexyl-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide?
N-cyclohexyl-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide has a molecular weight of 445.59 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 73349215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).