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

C23H27N5O3S — CID 73353751

IUPACN-(4-methylphenyl)-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(c3cc(C)nn3-c3ccc(S(N)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C23H27N5O3S/c1-16-3-5-19(6-4-16)25-23(29)27-13-11-18(12-14-27)22-15-17(2)26-28(22)20-7-9-21(10-8-20)32(24,30)31/h3-10,15,18H,11-14H2,1-2H3,(H,25,29)(H2,24,30,31)
InChIKeyNWEORMMJNVUPAT-UHFFFAOYSA-N
MW453.57 g/mol
LogP3.55
Rot. Bonds4

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

N-(4-methylphenyl)-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide (PubChem CID 73353751) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide
PubChem CID73353751
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC NameN-(4-methylphenyl)-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(c3cc(C)nn3-c3ccc(S(N)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C23H27N5O3S/c1-16-3-5-19(6-4-16)25-23(29)27-13-11-18(12-14-27)22-15-17(2)26-28(22)20-7-9-21(10-8-20)32(24,30)31/h3-10,15,18H,11-14H2,1-2H3,(H,25,29)(H2,24,30,31)
InChIKeyNWEORMMJNVUPAT-UHFFFAOYSA-N
XLogP3.55
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide (CID 73353751) is N-(4-methylphenyl)-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(c3cc(C)nn3-c3ccc(S(N)(=O)=O)cc3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide?
The InChIKey is NWEORMMJNVUPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-16-3-5-19(6-4-16)25-23(29)27-13-11-18(12-14-27)22-15-17(2)26-28(22)20-7-9-21(10-8-20)32(24,30)31/h3-10,15,18H,11-14H2,1-2H3,(H,25,29)(H2,24,30,31).
What are the key properties of N-(4-methylphenyl)-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide?
N-(4-methylphenyl)-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide has a molecular weight of 453.57 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 73353751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).