1-methyl-4-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidine

C14H24N4O2S — CID 124950620

IUPAC1-methyl-4-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidine
SMILESCN1CCC(N2CC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)CC1
InChIInChI=1S/C14H24N4O2S/c1-17-6-4-12(5-7-17)18-8-3-11(10-18)14-13(9-15-16-14)21(2,19)20/h9,11-12H,3-8,10H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyDCZATHCTPRUDLF-LLVKDONJSA-N
MW312.44 g/mol
LogP0.70
Rot. Bonds3

About 1-methyl-4-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidine

1-methyl-4-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidine (PubChem CID 124950620) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-methyl-4-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidine
PubChem CID124950620
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name1-methyl-4-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidine
SMILESCN1CCC(N2CC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)CC1
InChIInChI=1S/C14H24N4O2S/c1-17-6-4-12(5-7-17)18-8-3-11(10-18)14-13(9-15-16-14)21(2,19)20/h9,11-12H,3-8,10H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyDCZATHCTPRUDLF-LLVKDONJSA-N
XLogP0.70
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidine with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 124947578
4-methylsulfonyl-5-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole
CID 124991874
5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 124641326
5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 125025175
5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole
CID 110106115
4-methylsulfonyl-5-[(3S)-1-pentan-3-ylpyrrolidin-3-yl]-1H-pyrazole
CID 125006037
1,4-dimethyl-5-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 124981858
2-cyclopropyl-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124972172
5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 127244850
(3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide
CID 124956608
(6-methyl-2-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124972501
5-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125014855

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidine?
The IUPAC name of 1-methyl-4-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidine (CID 124950620) is 1-methyl-4-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidine.
What is the SMILES notation for 1-methyl-4-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidine?
The canonical SMILES for 1-methyl-4-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidine is CN1CCC(N2CC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)CC1.
What is the InChIKey of 1-methyl-4-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidine?
The InChIKey is DCZATHCTPRUDLF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-17-6-4-12(5-7-17)18-8-3-11(10-18)14-13(9-15-16-14)21(2,19)20/h9,11-12H,3-8,10H2,1-2H3,(H,15,16)/t11-/m1/s1.
What are the key properties of 1-methyl-4-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidine?
1-methyl-4-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidine has a molecular weight of 312.44 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]piperidine is sourced from PubChem (CID 124950620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).