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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65375595
5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 103465733
N-(2,2-dimethylpropyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387817
5-ethyl-N-(2-methylsulfonylethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386269
3-(2,2-dimethylbutylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 103465535
5-ethyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
CID 65387330
N-(2-ethoxyethyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387027
5-ethyl-3-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65372389
N-ethyl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373266
5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387211
ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65379797
5-ethyl-3-(3-ethylpentan-3-ylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65397482

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).