N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide

C15H18N4O3S — CID 119319470

IUPACN-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)c1ccccc1-n1cc(NC(=O)C2CCCN2)cn1
InChIInChI=1S/C15H18N4O3S/c1-23(21,22)14-7-3-2-6-13(14)19-10-11(9-17-19)18-15(20)12-5-4-8-16-12/h2-3,6-7,9-10,12,16H,4-5,8H2,1H3,(H,18,20)
InChIKeyCLNIXIYWPJCCEC-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.97
Rot. Bonds4

About N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide

N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide (PubChem CID 119319470) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
PubChem CID119319470
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)c1ccccc1-n1cc(NC(=O)C2CCCN2)cn1
InChIInChI=1S/C15H18N4O3S/c1-23(21,22)14-7-3-2-6-13(14)19-10-11(9-17-19)18-15(20)12-5-4-8-16-12/h2-3,6-7,9-10,12,16H,4-5,8H2,1H3,(H,18,20)
InChIKeyCLNIXIYWPJCCEC-UHFFFAOYSA-N
XLogP0.97
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119319462
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 56782059
N-(1-pyrimidin-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119328811
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CID 120792369
(2S)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide
CID 62902493
(2S)-N-(1-ethylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119292192
(2R)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide
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N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 167988082
(2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119740026
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 61179722
N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 43710867

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide (CID 119319470) is N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide is CS(=O)(=O)c1ccccc1-n1cc(NC(=O)C2CCCN2)cn1.
What is the InChIKey of N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is CLNIXIYWPJCCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-23(21,22)14-7-3-2-6-13(14)19-10-11(9-17-19)18-15(20)12-5-4-8-16-12/h2-3,6-7,9-10,12,16H,4-5,8H2,1H3,(H,18,20).
What are the key properties of N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide?
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119319470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).