N-[(4-sulfamoylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide

C11H18N4O3S — CID 175351805

IUPACN-[(4-sulfamoylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide
SMILESNS(=O)(=O)C1CCC(CNC(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C11H18N4O3S/c12-19(17,18)9-3-1-8(2-4-9)7-13-11(16)10-5-6-14-15-10/h5-6,8-9H,1-4,7H2,(H,13,16)(H,14,15)(H2,12,17,18)
InChIKeyMKNCFLWZMMPNAH-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.01
Rot. Bonds4

About N-[(4-sulfamoylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide

N-[(4-sulfamoylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 175351805) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[(4-sulfamoylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-sulfamoylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID175351805
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-[(4-sulfamoylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide
SMILESNS(=O)(=O)C1CCC(CNC(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C11H18N4O3S/c12-19(17,18)9-3-1-8(2-4-9)7-13-11(16)10-5-6-14-15-10/h5-6,8-9H,1-4,7H2,(H,13,16)(H,14,15)(H2,12,17,18)
InChIKeyMKNCFLWZMMPNAH-UHFFFAOYSA-N
XLogP-0.01
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4-sulfamoylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide (CID 175351805) is N-[(4-sulfamoylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-sulfamoylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-sulfamoylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide is NS(=O)(=O)C1CCC(CNC(=O)c2ccn[nH]2)CC1.
What is the InChIKey of N-[(4-sulfamoylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is MKNCFLWZMMPNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c12-19(17,18)9-3-1-8(2-4-9)7-13-11(16)10-5-6-14-15-10/h5-6,8-9H,1-4,7H2,(H,13,16)(H,14,15)(H2,12,17,18).
What are the key properties of N-[(4-sulfamoylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide?
N-[(4-sulfamoylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 175351805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).