5-cyclopropyl-N-(4-methoxybutan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide

C12H20N4O4S — CID 65382003

IUPAC5-cyclopropyl-N-(4-methoxybutan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCOCCC(C)NC(=O)c1n[nH]c(C2CC2)c1S(N)(=O)=O
InChIInChI=1S/C12H20N4O4S/c1-7(5-6-20-2)14-12(17)10-11(21(13,18)19)9(15-16-10)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,14,17)(H,15,16)(H2,13,18,19)
InChIKeyAXBFZWGEFRRNSJ-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.09
Rot. Bonds7

About 5-cyclopropyl-N-(4-methoxybutan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-(4-methoxybutan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 65382003) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-(4-methoxybutan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(4-methoxybutan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID65382003
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name5-cyclopropyl-N-(4-methoxybutan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCOCCC(C)NC(=O)c1n[nH]c(C2CC2)c1S(N)(=O)=O
InChIInChI=1S/C12H20N4O4S/c1-7(5-6-20-2)14-12(17)10-11(21(13,18)19)9(15-16-10)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,14,17)(H,15,16)(H2,13,18,19)
InChIKeyAXBFZWGEFRRNSJ-UHFFFAOYSA-N
XLogP0.09
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65382203
4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65381478
5-cyclopropyl-N-(2-ethoxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388559
N-butyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65375951
5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 103465733
4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide
CID 62077945
N-cyclohexyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65374364
N-(1-cyclopropylpropan-2-yl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388696
5-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65389215
N-(1-cyclopropylpropan-2-yl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388879
5-cyclopropyl-3-(2-methoxypropylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 102701092
N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387069

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(4-methoxybutan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(4-methoxybutan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 65382003) is 5-cyclopropyl-N-(4-methoxybutan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(4-methoxybutan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(4-methoxybutan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is COCCC(C)NC(=O)c1n[nH]c(C2CC2)c1S(N)(=O)=O.
What is the InChIKey of 5-cyclopropyl-N-(4-methoxybutan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is AXBFZWGEFRRNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-7(5-6-20-2)14-12(17)10-11(21(13,18)19)9(15-16-10)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,14,17)(H,15,16)(H2,13,18,19).
What are the key properties of 5-cyclopropyl-N-(4-methoxybutan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-(4-methoxybutan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(4-methoxybutan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65382003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).