5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole

C15H19N3O2S — CID 110257003

IUPAC5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole
SMILESCc1cn[nH]c1C1CCCN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H19N3O2S/c1-12-10-16-17-15(12)14-8-5-9-18(14)21(19,20)11-13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,16,17)
InChIKeyCTFUNYWYCIGGPS-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.39
Rot. Bonds4

About 5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole

5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole (PubChem CID 110257003) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole
PubChem CID110257003
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole
SMILESCc1cn[nH]c1C1CCCN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H19N3O2S/c1-12-10-16-17-15(12)14-8-5-9-18(14)21(19,20)11-13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,16,17)
InChIKeyCTFUNYWYCIGGPS-UHFFFAOYSA-N
XLogP2.39
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-ethylsulfonyl-2-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95843085
3-(1-benzylsulfonylpyrrolidin-2-yl)-5-ethyl-1H-1,2,4-triazole
CID 87052072
5-(1-benzylsulfonylpyrrolidin-2-yl)-1H-imidazole-4-carboxylic acid
CID 20718937
3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine
CID 42922078
2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine
CID 110096230
(2S)-1-benzylsulfonylpyrrolidine-2-carboxylic acid
CID 10199278
6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine
CID 127246933
4-[6-[(2R)-1-benzylsulfonylpyrrolidin-2-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole
CID 124997798
4-[6-[(2S)-1-benzylsulfonylpyrrolidin-2-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole
CID 124997797
3,5-dimethyl-4-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 95824645
1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole
CID 95824678
(2R)-1-benzylsulfonyl-2-(2-chlorophenyl)azepane
CID 95079061

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole?
The IUPAC name of 5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole (CID 110257003) is 5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole.
What is the SMILES notation for 5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole?
The canonical SMILES for 5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole is Cc1cn[nH]c1C1CCCN1S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole?
The InChIKey is CTFUNYWYCIGGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-12-10-16-17-15(12)14-8-5-9-18(14)21(19,20)11-13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,16,17).
What are the key properties of 5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole?
5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole has a molecular weight of 305.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylsulfonylpyrrolidin-2-yl)-4-methyl-1H-pyrazole is sourced from PubChem (CID 110257003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).