3-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide

C20H19FN4O — CID 91887993

IUPAC3-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(c2cc(-c3ccccc3)[nH]n2)C1)c1cccc(F)c1
InChIInChI=1S/C20H19FN4O/c21-16-8-4-7-15(11-16)20(26)22-17-9-10-25(13-17)19-12-18(23-24-19)14-5-2-1-3-6-14/h1-8,11-12,17H,9-10,13H2,(H,22,26)(H,23,24)
InChIKeyHJLFZAPJCPJDHK-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.22
Rot. Bonds4

About 3-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide

3-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide (PubChem CID 91887993) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
PubChem CID91887993
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name3-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(c2cc(-c3ccccc3)[nH]n2)C1)c1cccc(F)c1
InChIInChI=1S/C20H19FN4O/c21-16-8-4-7-15(11-16)20(26)22-17-9-10-25(13-17)19-12-18(23-24-19)14-5-2-1-3-6-14/h1-8,11-12,17H,9-10,13H2,(H,22,26)(H,23,24)
InChIKeyHJLFZAPJCPJDHK-UHFFFAOYSA-N
XLogP3.22
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide (CID 91887993) is 3-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide is O=C(NC1CCN(c2cc(-c3ccccc3)[nH]n2)C1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
The InChIKey is HJLFZAPJCPJDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-16-8-4-7-15(11-16)20(26)22-17-9-10-25(13-17)19-12-18(23-24-19)14-5-2-1-3-6-14/h1-8,11-12,17H,9-10,13H2,(H,22,26)(H,23,24).
What are the key properties of 3-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
3-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide has a molecular weight of 350.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 91887993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).