N-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide

C12H20N4O4S — CID 65374367

IUPACN-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCC2CCCO2)c1S(N)(=O)=O
InChIInChI=1S/C12H20N4O4S/c1-2-4-9-11(21(13,18)19)10(16-15-9)12(17)14-7-8-5-3-6-20-8/h8H,2-7H2,1H3,(H,14,17)(H,15,16)(H2,13,18,19)
InChIKeyFOTKDLHUVKUBOW-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.08
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide

N-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 65374367) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID65374367
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC NameN-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCC2CCCO2)c1S(N)(=O)=O
InChIInChI=1S/C12H20N4O4S/c1-2-4-9-11(21(13,18)19)10(16-15-9)12(17)14-7-8-5-3-6-20-8/h8H,2-7H2,1H3,(H,14,17)(H,15,16)(H2,13,18,19)
InChIKeyFOTKDLHUVKUBOW-UHFFFAOYSA-N
XLogP-0.08
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62081323
N-(2-ethoxyethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386835
N-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388812
N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 53017368
N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 94913783
oxolan-3-yl 5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65381502
5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386706
4-amino-N-[1-(oxolan-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62075134
3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 95369014
N-(oxolan-2-ylmethyl)-1H-indazole-3-carboxamide
CID 4877074
5-ethyl-N-(oxolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 80715628
4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide
CID 65374368

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 65374367) is N-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NCC2CCCO2)c1S(N)(=O)=O.
What is the InChIKey of N-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is FOTKDLHUVKUBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-2-4-9-11(21(13,18)19)10(16-15-9)12(17)14-7-8-5-3-6-20-8/h8H,2-7H2,1H3,(H,14,17)(H,15,16)(H2,13,18,19).
What are the key properties of N-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
N-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 316.38 g/mol, XLogP of -0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65374367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).