2-(2-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide

C19H19FN4OS — CID 91888153

IUPAC2-(2-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccccc1F)NC1CCN(c2cc(-c3cccs3)[nH]n2)C1
InChIInChI=1S/C19H19FN4OS/c20-15-5-2-1-4-13(15)10-19(25)21-14-7-8-24(12-14)18-11-16(22-23-18)17-6-3-9-26-17/h1-6,9,11,14H,7-8,10,12H2,(H,21,25)(H,22,23)
InChIKeyGFTSYMPPLBVXAM-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.21
Rot. Bonds5

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

2-(2-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide (PubChem CID 91888153) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide
PubChem CID91888153
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC Name2-(2-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccccc1F)NC1CCN(c2cc(-c3cccs3)[nH]n2)C1
InChIInChI=1S/C19H19FN4OS/c20-15-5-2-1-4-13(15)10-19(25)21-14-7-8-24(12-14)18-11-16(22-23-18)17-6-3-9-26-17/h1-6,9,11,14H,7-8,10,12H2,(H,21,25)(H,22,23)
InChIKeyGFTSYMPPLBVXAM-UHFFFAOYSA-N
XLogP3.21
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide (CID 91888153) is 2-(2-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide is O=C(Cc1ccccc1F)NC1CCN(c2cc(-c3cccs3)[nH]n2)C1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is GFTSYMPPLBVXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c20-15-5-2-1-4-13(15)10-19(25)21-14-7-8-24(12-14)18-11-16(22-23-18)17-6-3-9-26-17/h1-6,9,11,14H,7-8,10,12H2,(H,21,25)(H,22,23).
What are the key properties of 2-(2-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide?
2-(2-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 370.45 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 91888153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).