3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole

C16H14F2N2 — CID 141130432

IUPAC3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole
SMILESCC1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1
InChIInChI=1S/C16H14F2N2/c1-16(11-5-3-2-4-6-11)10-15(19-20-16)13-9-12(17)7-8-14(13)18/h2-9,20H,10H2,1H3
InChIKeyFXAPDCBGDCIGOR-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.58
Rot. Bonds2

About 3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole

3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole (PubChem CID 141130432) has the molecular formula C16H14F2N2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole
PubChem CID141130432
Molecular FormulaC16H14F2N2
Molecular Weight272.30 g/mol
Exact Mass272.11
IUPAC Name3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole
SMILESCC1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1
InChIInChI=1S/C16H14F2N2/c1-16(11-5-3-2-4-6-11)10-15(19-20-16)13-9-12(17)7-8-14(13)18/h2-9,20H,10H2,1H3
InChIKeyFXAPDCBGDCIGOR-UHFFFAOYSA-N
XLogP3.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole?
The IUPAC name of 3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole (CID 141130432) is 3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole.
What is the SMILES notation for 3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole?
The canonical SMILES for 3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole is CC1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1.
What is the InChIKey of 3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole?
The InChIKey is FXAPDCBGDCIGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2/c1-16(11-5-3-2-4-6-11)10-15(19-20-16)13-9-12(17)7-8-14(13)18/h2-9,20H,10H2,1H3.
What are the key properties of 3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole?
3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole has a molecular weight of 272.30 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-5-methyl-5-phenyl-1,4-dihydropyrazole is sourced from PubChem (CID 141130432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).