1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole

C19H19N3O2S — CID 42348986

IUPAC1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole
SMILESO=S(=O)(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCCC1
InChIInChI=1S/C19H19N3O2S/c23-25(24,21-13-7-8-14-21)18-15-22(17-11-5-2-6-12-17)20-19(18)16-9-3-1-4-10-16/h1-6,9-12,15H,7-8,13-14H2
InChIKeyDXDUSPGRKAMJQB-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.32
Rot. Bonds4

About 1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole

1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole (PubChem CID 42348986) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole.

Molecular Properties

Compound Name1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole
PubChem CID42348986
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole
SMILESO=S(=O)(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCCC1
InChIInChI=1S/C19H19N3O2S/c23-25(24,21-13-7-8-14-21)18-15-22(17-11-5-2-6-12-17)20-19(18)16-9-3-1-4-10-16/h1-6,9-12,15H,7-8,13-14H2
InChIKeyDXDUSPGRKAMJQB-UHFFFAOYSA-N
XLogP3.32
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
CID 42349000
methyl 1-(1,3-diphenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 42349018
1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 42285593
1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine
CID 42284578
4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine
CID 42351856
4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine
CID 42283183
N-butyl-1,3-diphenylpyrazole-4-sulfonamide
CID 42349141
1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-methoxy-2-piperidin-1-ylsulfonylphenyl)methanimine
CID 23856063
1-(2-phenylphenyl)sulfonylpyrrolidine
CID 51112991
N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide
CID 42348958
N-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide
CID 42349444
8-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 42351890

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole?
The IUPAC name of 1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole (CID 42348986) is 1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole.
What is the SMILES notation for 1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole?
The canonical SMILES for 1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole is O=S(=O)(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCCC1.
What is the InChIKey of 1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole?
The InChIKey is DXDUSPGRKAMJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-25(24,21-13-7-8-14-21)18-15-22(17-11-5-2-6-12-17)20-19(18)16-9-3-1-4-10-16/h1-6,9-12,15H,7-8,13-14H2.
What are the key properties of 1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole?
1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole has a molecular weight of 353.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole is sourced from PubChem (CID 42348986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).