1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one

C20H20F2N2O — CID 24901490

IUPAC1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1
InChIInChI=1S/C20H20F2N2O/c1-20(2,3)19(25)24-18(13-7-5-4-6-8-13)12-17(23-24)15-11-14(21)9-10-16(15)22/h4-11,18H,12H2,1-3H3
InChIKeyJQAYLIPNUJFLNN-UHFFFAOYSA-N
MW342.39 g/mol
LogP4.69
Rot. Bonds2

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

1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 24901490) has the molecular formula C20H20F2N2O and a molecular weight of 342.39 g/mol. Its IUPAC name is 1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one
PubChem CID24901490
Molecular FormulaC20H20F2N2O
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1
InChIInChI=1S/C20H20F2N2O/c1-20(2,3)19(25)24-18(13-7-5-4-6-8-13)12-17(23-24)15-11-14(21)9-10-16(15)22/h4-11,18H,12H2,1-3H3
InChIKeyJQAYLIPNUJFLNN-UHFFFAOYSA-N
XLogP4.69
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one (CID 24901490) is 1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1.
What is the InChIKey of 1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is JQAYLIPNUJFLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O/c1-20(2,3)19(25)24-18(13-7-5-4-6-8-13)12-17(23-24)15-11-14(21)9-10-16(15)22/h4-11,18H,12H2,1-3H3.
What are the key properties of 1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one?
1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 342.39 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-difluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 24901490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).