5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide

C11H18N4O4S — CID 65386706

IUPAC5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC2CCCOC2)c1S(N)(=O)=O
InChIInChI=1S/C11H18N4O4S/c1-7-10(20(12,17)18)9(15-14-7)11(16)13-5-8-3-2-4-19-6-8/h8H,2-6H2,1H3,(H,13,16)(H,14,15)(H2,12,17,18)
InChIKeyQVHWYAQTVVAWAO-UHFFFAOYSA-N
MW302.36 g/mol
LogP-0.48
Rot. Bonds4

About 5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide

5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 65386706) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is 5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID65386706
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Name5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC2CCCOC2)c1S(N)(=O)=O
InChIInChI=1S/C11H18N4O4S/c1-7-10(20(12,17)18)9(15-14-7)11(16)13-5-8-3-2-4-19-6-8/h8H,2-6H2,1H3,(H,13,16)(H,14,15)(H2,12,17,18)
InChIKeyQVHWYAQTVVAWAO-UHFFFAOYSA-N
XLogP-0.48
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62082129
4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 63727436
4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62081121
N-(4-ethylcyclohexyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387454
N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65386323
4-amino-N,5-dimethyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 63727250
N-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65374367
5-methyl-N-(2-methylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387504
4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide
CID 61217199
5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386939
4-(ethylaminomethyl)-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106016475
5-ethyl-N-(oxolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 80715628

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 65386706) is 5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCC2CCCOC2)c1S(N)(=O)=O.
What is the InChIKey of 5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is QVHWYAQTVVAWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-7-10(20(12,17)18)9(15-14-7)11(16)13-5-8-3-2-4-19-6-8/h8H,2-6H2,1H3,(H,13,16)(H,14,15)(H2,12,17,18).
What are the key properties of 5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 302.36 g/mol, XLogP of -0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65386706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).