1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide

C17H22N4O3S — CID 74230410

IUPAC1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCCC1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H22N4O3S/c22-17(18-8-11-25(23,24)21-9-4-5-10-21)16-12-19-20(14-16)13-15-6-2-1-3-7-15/h1-3,6-7,12,14H,4-5,8-11,13H2,(H,18,22)
InChIKeyMPNUAQZIBKQFPH-UHFFFAOYSA-N
MW362.45 g/mol
LogP1.09
Rot. Bonds7

About 1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide

1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide (PubChem CID 74230410) has the molecular formula C17H22N4O3S and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide
PubChem CID74230410
Molecular FormulaC17H22N4O3S
Molecular Weight362.45 g/mol
Exact Mass362.14
IUPAC Name1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCCC1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H22N4O3S/c22-17(18-8-11-25(23,24)21-9-4-5-10-21)16-12-19-20(14-16)13-15-6-2-1-3-7-15/h1-3,6-7,12,14H,4-5,8-11,13H2,(H,18,22)
InChIKeyMPNUAQZIBKQFPH-UHFFFAOYSA-N
XLogP1.09
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide (CID 74230410) is 1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide is O=C(NCCS(=O)(=O)N1CCCC1)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide?
The InChIKey is MPNUAQZIBKQFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c22-17(18-8-11-25(23,24)21-9-4-5-10-21)16-12-19-20(14-16)13-15-6-2-1-3-7-15/h1-3,6-7,12,14H,4-5,8-11,13H2,(H,18,22).
What are the key properties of 1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide?
1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 74230410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).