[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyrrolidin-1-ylmethanone

C20H19F2N3O — CID 10215512

IUPAC[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1
InChIInChI=1S/C20H19F2N3O/c21-15-8-9-17(22)16(12-15)18-13-19(14-6-2-1-3-7-14)25(23-18)20(26)24-10-4-5-11-24/h1-3,6-9,12,19H,4-5,10-11,13H2
InChIKeyKCFDMXOKAPDPDY-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.33
Rot. Bonds2

About [5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyrrolidin-1-ylmethanone

[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 10215512) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is [5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID10215512
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1
InChIInChI=1S/C20H19F2N3O/c21-15-8-9-17(22)16(12-15)18-13-19(14-6-2-1-3-7-14)25(23-18)20(26)24-10-4-5-11-24/h1-3,6-9,12,19H,4-5,10-11,13H2
InChIKeyKCFDMXOKAPDPDY-UHFFFAOYSA-N
XLogP4.33
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyrrolidin-1-ylmethanone (CID 10215512) is [5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1.
What is the InChIKey of [5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KCFDMXOKAPDPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O/c21-15-8-9-17(22)16(12-15)18-13-19(14-6-2-1-3-7-14)25(23-18)20(26)24-10-4-5-11-24/h1-3,6-9,12,19H,4-5,10-11,13H2.
What are the key properties of [5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyrrolidin-1-ylmethanone?
[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 355.39 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 10215512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).