5-ethyl-N-methyl-N-(2-propan-2-yloxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide

C12H22N4O4S — CID 81063691

IUPAC5-ethyl-N-methyl-N-(2-propan-2-yloxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(C)CCOC(C)C)c1S(N)(=O)=O
InChIInChI=1S/C12H22N4O4S/c1-5-9-11(21(13,18)19)10(15-14-9)12(17)16(4)6-7-20-8(2)3/h8H,5-7H2,1-4H3,(H,14,15)(H2,13,18,19)
InChIKeyIHJZWMHYJVZBPT-UHFFFAOYSA-N
MW318.40 g/mol
LogP0.12
Rot. Bonds7

About 5-ethyl-N-methyl-N-(2-propan-2-yloxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide

5-ethyl-N-methyl-N-(2-propan-2-yloxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 81063691) has the molecular formula C12H22N4O4S and a molecular weight of 318.40 g/mol. Its IUPAC name is 5-ethyl-N-methyl-N-(2-propan-2-yloxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-methyl-N-(2-propan-2-yloxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID81063691
Molecular FormulaC12H22N4O4S
Molecular Weight318.40 g/mol
Exact Mass318.14
IUPAC Name5-ethyl-N-methyl-N-(2-propan-2-yloxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(C)CCOC(C)C)c1S(N)(=O)=O
InChIInChI=1S/C12H22N4O4S/c1-5-9-11(21(13,18)19)10(15-14-9)12(17)16(4)6-7-20-8(2)3/h8H,5-7H2,1-4H3,(H,14,15)(H2,13,18,19)
InChIKeyIHJZWMHYJVZBPT-UHFFFAOYSA-N
XLogP0.12
TPSA118.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N,5-dimethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide
CID 81053725
ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65379797
N-cyclopropyl-5-ethyl-N-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65389094
4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide
CID 113449775
N-(2-ethoxyethyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387027
5-ethyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65375595
tert-butyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65381828
5-ethyl-N-(2-methylsulfonylethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386269
5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387211
2-[(2-methylpropan-2-yl)oxy]ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 115943104
N-(1-cyclopropylpropan-2-yl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388879
N-(2,2-dimethylbutyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 103465781

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-N-(2-propan-2-yloxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-methyl-N-(2-propan-2-yloxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 81063691) is 5-ethyl-N-methyl-N-(2-propan-2-yloxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-methyl-N-(2-propan-2-yloxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-methyl-N-(2-propan-2-yloxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)N(C)CCOC(C)C)c1S(N)(=O)=O.
What is the InChIKey of 5-ethyl-N-methyl-N-(2-propan-2-yloxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is IHJZWMHYJVZBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4S/c1-5-9-11(21(13,18)19)10(15-14-9)12(17)16(4)6-7-20-8(2)3/h8H,5-7H2,1-4H3,(H,14,15)(H2,13,18,19).
What are the key properties of 5-ethyl-N-methyl-N-(2-propan-2-yloxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
5-ethyl-N-methyl-N-(2-propan-2-yloxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-N-(2-propan-2-yloxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 81063691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).