N-(2,2-dimethylbutyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide

C12H22N4O3S — CID 103465781

IUPACN-(2,2-dimethylbutyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCC(C)(C)CC)c1S(N)(=O)=O
InChIInChI=1S/C12H22N4O3S/c1-5-8-10(20(13,18)19)9(16-15-8)11(17)14-7-12(3,4)6-2/h5-7H2,1-4H3,(H,14,17)(H,15,16)(H2,13,18,19)
InChIKeyKQSPGPYRWPGTPF-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.79
Rot. Bonds6

About N-(2,2-dimethylbutyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide

N-(2,2-dimethylbutyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 103465781) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID103465781
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC NameN-(2,2-dimethylbutyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCC(C)(C)CC)c1S(N)(=O)=O
InChIInChI=1S/C12H22N4O3S/c1-5-8-10(20(13,18)19)9(16-15-8)11(17)14-7-12(3,4)6-2/h5-7H2,1-4H3,(H,14,17)(H,15,16)(H2,13,18,19)
InChIKeyKQSPGPYRWPGTPF-UHFFFAOYSA-N
XLogP0.79
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2,2-dimethylbutyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 103465781) is N-(2,2-dimethylbutyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NCC(C)(C)CC)c1S(N)(=O)=O.
What is the InChIKey of N-(2,2-dimethylbutyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is KQSPGPYRWPGTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-5-8-10(20(13,18)19)9(16-15-8)11(17)14-7-12(3,4)6-2/h5-7H2,1-4H3,(H,14,17)(H,15,16)(H2,13,18,19).
What are the key properties of N-(2,2-dimethylbutyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
N-(2,2-dimethylbutyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 103465781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).