azetidin-1-yl-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone

C19H17F2N3O — CID 10149979

IUPACazetidin-1-yl-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(N1CCC1)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1
InChIInChI=1S/C19H17F2N3O/c20-14-7-8-16(21)15(11-14)17-12-18(13-5-2-1-3-6-13)24(22-17)19(25)23-9-4-10-23/h1-3,5-8,11,18H,4,9-10,12H2
InChIKeyOFDFHNREFSFQMV-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.94
Rot. Bonds2

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

azetidin-1-yl-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 10149979) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is azetidin-1-yl-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID10149979
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Nameazetidin-1-yl-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(N1CCC1)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1
InChIInChI=1S/C19H17F2N3O/c20-14-7-8-16(21)15(11-14)17-12-18(13-5-2-1-3-6-13)24(22-17)19(25)23-9-4-10-23/h1-3,5-8,11,18H,4,9-10,12H2
InChIKeyOFDFHNREFSFQMV-UHFFFAOYSA-N
XLogP3.94
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of azetidin-1-yl-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone (CID 10149979) is azetidin-1-yl-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for azetidin-1-yl-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone is O=C(N1CCC1)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1.
What is the InChIKey of azetidin-1-yl-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is OFDFHNREFSFQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c20-14-7-8-16(21)15(11-14)17-12-18(13-5-2-1-3-6-13)24(22-17)19(25)23-9-4-10-23/h1-3,5-8,11,18H,4,9-10,12H2.
What are the key properties of azetidin-1-yl-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone?
azetidin-1-yl-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 341.36 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 10149979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).