3-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-pyrazole

C13H15N3O2S — CID 15253048

IUPAC3-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-pyrazole
SMILESO=S(=O)(c1cc(-c2ccccc2)n[nH]1)N1CCCC1
InChIInChI=1S/C13H15N3O2S/c17-19(18,16-8-4-5-9-16)13-10-12(14-15-13)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,14,15)
InChIKeyYNPSVXMOJPIFLT-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.86
Rot. Bonds3

About 3-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-pyrazole

3-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-pyrazole (PubChem CID 15253048) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-pyrazole.

Molecular Properties

Compound Name3-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-pyrazole
PubChem CID15253048
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-pyrazole
SMILESO=S(=O)(c1cc(-c2ccccc2)n[nH]1)N1CCCC1
InChIInChI=1S/C13H15N3O2S/c17-19(18,16-8-4-5-9-16)13-10-12(14-15-13)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,14,15)
InChIKeyYNPSVXMOJPIFLT-UHFFFAOYSA-N
XLogP1.86
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-pyrazole?
The IUPAC name of 3-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-pyrazole (CID 15253048) is 3-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-pyrazole.
What is the SMILES notation for 3-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-pyrazole?
The canonical SMILES for 3-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-pyrazole is O=S(=O)(c1cc(-c2ccccc2)n[nH]1)N1CCCC1.
What is the InChIKey of 3-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-pyrazole?
The InChIKey is YNPSVXMOJPIFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-19(18,16-8-4-5-9-16)13-10-12(14-15-13)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,14,15).
What are the key properties of 3-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-pyrazole?
3-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-pyrazole has a molecular weight of 277.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-pyrazole is sourced from PubChem (CID 15253048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).