1-[5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone

C17H15FN2O — CID 86097008

IUPAC1-[5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(c2ccccc2F)=N1
InChIInChI=1S/C17H15FN2O/c18-15-9-5-4-8-14(15)16-10-11-20(19-16)17(21)12-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeyPFPXKZMGAIAXGL-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.00
Rot. Bonds3

About 1-[5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone

1-[5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone (PubChem CID 86097008) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone
PubChem CID86097008
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name1-[5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(c2ccccc2F)=N1
InChIInChI=1S/C17H15FN2O/c18-15-9-5-4-8-14(15)16-10-11-20(19-16)17(21)12-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeyPFPXKZMGAIAXGL-UHFFFAOYSA-N
XLogP3.00
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2-phenylacetyl)-3,4-dihydropyrazol-5-yl]benzonitrile
CID 66866214
1-[5-(4-ethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone
CID 66866499
2-(2-phenylacetyl)-3,4-dihydropyrazole-5-sulfinate
CID 123554884
1-[5-(2,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(3-morpholin-4-ylpropyl)phenyl]ethanone
CID 173025898
1-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 110798668
1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 99963248
2-[(3-fluorophenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 26514033
2-(2-benzylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 26001928
1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-phenylethanone;hydrochloride
CID 171151119
2-[4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1,4-diazepan-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 31313586
1-[(3R)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 99963593
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone?
The IUPAC name of 1-[5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone (CID 86097008) is 1-[5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone?
The canonical SMILES for 1-[5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCC(c2ccccc2F)=N1.
What is the InChIKey of 1-[5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone?
The InChIKey is PFPXKZMGAIAXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-15-9-5-4-8-14(15)16-10-11-20(19-16)17(21)12-13-6-2-1-3-7-13/h1-9H,10-12H2.
What are the key properties of 1-[5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone?
1-[5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone has a molecular weight of 282.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone is sourced from PubChem (CID 86097008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).