5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide

C12H22N4O3S — CID 65387211

IUPAC5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC(C)CC(C)C)c1S(N)(=O)=O
InChIInChI=1S/C12H22N4O3S/c1-5-9-11(20(13,18)19)10(16-15-9)12(17)14-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3,(H,14,17)(H,15,16)(H2,13,18,19)
InChIKeyPNXIIZZZXWZCGU-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.78
Rot. Bonds6

About 5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide

5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 65387211) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID65387211
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC(C)CC(C)C)c1S(N)(=O)=O
InChIInChI=1S/C12H22N4O3S/c1-5-9-11(20(13,18)19)10(16-15-9)12(17)14-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3,(H,14,17)(H,15,16)(H2,13,18,19)
InChIKeyPNXIIZZZXWZCGU-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388879
N-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373238
5-ethyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65375595
N-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388449
4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide
CID 107210470
5-ethyl-N-(2-methylsulfonylethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386269
ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65379797
N-(2,2-dimethylbutyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 103465781
N-(2-ethoxyethyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387027
N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387069
5-ethyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
CID 65387330
5-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65396671

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 65387211) is 5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NC(C)CC(C)C)c1S(N)(=O)=O.
What is the InChIKey of 5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is PNXIIZZZXWZCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-5-9-11(20(13,18)19)10(16-15-9)12(17)14-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3,(H,14,17)(H,15,16)(H2,13,18,19).
What are the key properties of 5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65387211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).