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

C13H21N5O4S — CID 175351840

IUPACN-[[4-(methylcarbamoylsulfamoyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide
SMILESCNC(=O)NS(=O)(=O)C1CCC(CNC(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C13H21N5O4S/c1-14-13(20)18-23(21,22)10-4-2-9(3-5-10)8-15-12(19)11-6-7-16-17-11/h6-7,9-10H,2-5,8H2,1H3,(H,15,19)(H,16,17)(H2,14,18,20)
InChIKeyCRPMOVZESAKRST-UHFFFAOYSA-N
MW343.41 g/mol
LogP-0.04
Rot. Bonds5

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

N-[[4-(methylcarbamoylsulfamoyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 175351840) has the molecular formula C13H21N5O4S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[[4-(methylcarbamoylsulfamoyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(methylcarbamoylsulfamoyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID175351840
Molecular FormulaC13H21N5O4S
Molecular Weight343.41 g/mol
Exact Mass343.13
IUPAC NameN-[[4-(methylcarbamoylsulfamoyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide
SMILESCNC(=O)NS(=O)(=O)C1CCC(CNC(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C13H21N5O4S/c1-14-13(20)18-23(21,22)10-4-2-9(3-5-10)8-15-12(19)11-6-7-16-17-11/h6-7,9-10H,2-5,8H2,1H3,(H,15,19)(H,16,17)(H2,14,18,20)
InChIKeyCRPMOVZESAKRST-UHFFFAOYSA-N
XLogP-0.04
TPSA133.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylcarbamoylsulfamoyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[4-(methylcarbamoylsulfamoyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide (CID 175351840) is N-[[4-(methylcarbamoylsulfamoyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[4-(methylcarbamoylsulfamoyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[4-(methylcarbamoylsulfamoyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide is CNC(=O)NS(=O)(=O)C1CCC(CNC(=O)c2ccn[nH]2)CC1.
What is the InChIKey of N-[[4-(methylcarbamoylsulfamoyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is CRPMOVZESAKRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O4S/c1-14-13(20)18-23(21,22)10-4-2-9(3-5-10)8-15-12(19)11-6-7-16-17-11/h6-7,9-10H,2-5,8H2,1H3,(H,15,19)(H,16,17)(H2,14,18,20).
What are the key properties of N-[[4-(methylcarbamoylsulfamoyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide?
N-[[4-(methylcarbamoylsulfamoyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 343.41 g/mol, XLogP of -0.04, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylcarbamoylsulfamoyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 175351840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).