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

C11H18N4O4S — CID 65388559

IUPAC5-cyclopropyl-N-(2-ethoxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCOCCNC(=O)c1n[nH]c(C2CC2)c1S(N)(=O)=O
InChIInChI=1S/C11H18N4O4S/c1-2-19-6-5-13-11(16)9-10(20(12,17)18)8(14-15-9)7-3-4-7/h7H,2-6H2,1H3,(H,13,16)(H,14,15)(H2,12,17,18)
InChIKeyTVEWNYCHHFIIMY-UHFFFAOYSA-N
MW302.36 g/mol
LogP-0.30
Rot. Bonds7

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

5-cyclopropyl-N-(2-ethoxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 65388559) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2-ethoxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(2-ethoxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID65388559
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Name5-cyclopropyl-N-(2-ethoxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCOCCNC(=O)c1n[nH]c(C2CC2)c1S(N)(=O)=O
InChIInChI=1S/C11H18N4O4S/c1-2-19-6-5-13-11(16)9-10(20(12,17)18)8(14-15-9)7-3-4-7/h7H,2-6H2,1H3,(H,13,16)(H,14,15)(H2,12,17,18)
InChIKeyTVEWNYCHHFIIMY-UHFFFAOYSA-N
XLogP-0.30
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65375951
N-(2-ethoxyethyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387027
N-(2-ethoxyethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386835
5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 103465733
5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65382203
5-cyclopropyl-N-(4-methoxybutan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65382003
N-cyclohexyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65374364
N-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373285
4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62076097
5-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65389215
4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65381478
3-(2-ethoxyethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65371335

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2-ethoxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(2-ethoxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 65388559) is 5-cyclopropyl-N-(2-ethoxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(2-ethoxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(2-ethoxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is CCOCCNC(=O)c1n[nH]c(C2CC2)c1S(N)(=O)=O.
What is the InChIKey of 5-cyclopropyl-N-(2-ethoxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is TVEWNYCHHFIIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-2-19-6-5-13-11(16)9-10(20(12,17)18)8(14-15-9)7-3-4-7/h7H,2-6H2,1H3,(H,13,16)(H,14,15)(H2,12,17,18).
What are the key properties of 5-cyclopropyl-N-(2-ethoxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-(2-ethoxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 302.36 g/mol, XLogP of -0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2-ethoxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65388559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).