1-methylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide

C17H22N4O3S — CID 51305841

IUPAC1-methylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C17H22N4O3S/c1-25(23,24)21-11-4-8-16(21)17(22)18-12-14-6-2-3-7-15(14)13-20-10-5-9-19-20/h2-3,5-7,9-10,16H,4,8,11-13H2,1H3,(H,18,22)
InChIKeyRZRSJPOBMSDEMY-UHFFFAOYSA-N
MW362.46 g/mol
LogP0.97
Rot. Bonds6

About 1-methylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide

1-methylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 51305841) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID51305841
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-methylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C17H22N4O3S/c1-25(23,24)21-11-4-8-16(21)17(22)18-12-14-6-2-3-7-15(14)13-20-10-5-9-19-20/h2-3,5-7,9-10,16H,4,8,11-13H2,1H3,(H,18,22)
InChIKeyRZRSJPOBMSDEMY-UHFFFAOYSA-N
XLogP0.97
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 43035970
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 47165617
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide
CID 35955520
cis-(1S,2R)-2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 31953910
(2S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94026231
(2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 35855214
(3R)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 34583956
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240584
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51305225
1-methylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-2-carboxamide
CID 134039566
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 124504969
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 51305841) is 1-methylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide is CS(=O)(=O)N1CCCC1C(=O)NCc1ccccc1Cn1cccn1.
What is the InChIKey of 1-methylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is RZRSJPOBMSDEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-25(23,24)21-11-4-8-16(21)17(22)18-12-14-6-2-3-7-15(14)13-20-10-5-9-19-20/h2-3,5-7,9-10,16H,4,8,11-13H2,1H3,(H,18,22).
What are the key properties of 1-methylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
1-methylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 51305841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).