(2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide

C15H26N4O3S — CID 91779451

IUPAC(2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1n[nH]c(C)c1CCCN(C)C(=O)[C@@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C15H26N4O3S/c1-11-13(12(2)17-16-11)7-5-9-18(3)15(20)14-8-6-10-19(14)23(4,21)22/h14H,5-10H2,1-4H3,(H,16,17)/t14-/m0/s1
InChIKeyWMZCNUOITFENIA-AWEZNQCLSA-N
MW342.47 g/mol
LogP0.84
Rot. Bonds6

About (2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide

(2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 91779451) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is (2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID91779451
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name(2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1n[nH]c(C)c1CCCN(C)C(=O)[C@@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C15H26N4O3S/c1-11-13(12(2)17-16-11)7-5-9-18(3)15(20)14-8-6-10-19(14)23(4,21)22/h14H,5-10H2,1-4H3,(H,16,17)/t14-/m0/s1
InChIKeyWMZCNUOITFENIA-AWEZNQCLSA-N
XLogP0.84
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide (CID 91779451) is (2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide is Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@@H]1CCCN1S(C)(=O)=O.
What is the InChIKey of (2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is WMZCNUOITFENIA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-11-13(12(2)17-16-11)7-5-9-18(3)15(20)14-8-6-10-19(14)23(4,21)22/h14H,5-10H2,1-4H3,(H,16,17)/t14-/m0/s1.
What are the key properties of (2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
(2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 91779451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).