[3-(2-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone

C18H16FN3OS — CID 70736599

IUPAC[3-(2-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1cccs1)N1CCC(c2ccccc2F)C1
InChIInChI=1S/C18H16FN3OS/c19-15-5-2-1-4-13(15)12-7-8-22(11-12)18(23)14-10-20-21-17(14)16-6-3-9-24-16/h1-6,9-10,12H,7-8,11H2,(H,20,21)
InChIKeyBFFNWMTZKTYDGX-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.91
Rot. Bonds3

About [3-(2-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone

[3-(2-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone (PubChem CID 70736599) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is [3-(2-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
PubChem CID70736599
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name[3-(2-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1cccs1)N1CCC(c2ccccc2F)C1
InChIInChI=1S/C18H16FN3OS/c19-15-5-2-1-4-13(15)12-7-8-22(11-12)18(23)14-10-20-21-17(14)16-6-3-9-24-16/h1-6,9-10,12H,7-8,11H2,(H,20,21)
InChIKeyBFFNWMTZKTYDGX-UHFFFAOYSA-N
XLogP3.91
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [3-(2-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone (CID 70736599) is [3-(2-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [3-(2-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [3-(2-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1-c1cccs1)N1CCC(c2ccccc2F)C1.
What is the InChIKey of [3-(2-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The InChIKey is BFFNWMTZKTYDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c19-15-5-2-1-4-13(15)12-7-8-22(11-12)18(23)14-10-20-21-17(14)16-6-3-9-24-16/h1-6,9-10,12H,7-8,11H2,(H,20,21).
What are the key properties of [3-(2-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
[3-(2-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone has a molecular weight of 341.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)pyrrolidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 70736599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).