1-[5-(2,5-difluorophenyl)-3-(3-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone

C17H14F2N2O2 — CID 10236645

IUPAC1-[5-(2,5-difluorophenyl)-3-(3-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2cc(F)ccc2F)CC1c1cccc(O)c1
InChIInChI=1S/C17H14F2N2O2/c1-10(22)21-17(11-3-2-4-13(23)7-11)9-16(20-21)14-8-12(18)5-6-15(14)19/h2-8,17,23H,9H2,1H3
InChIKeyYLSHULIHKQRKEM-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.37
Rot. Bonds2

About 1-[5-(2,5-difluorophenyl)-3-(3-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone

1-[5-(2,5-difluorophenyl)-3-(3-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 10236645) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 1-[5-(2,5-difluorophenyl)-3-(3-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,5-difluorophenyl)-3-(3-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID10236645
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name1-[5-(2,5-difluorophenyl)-3-(3-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2cc(F)ccc2F)CC1c1cccc(O)c1
InChIInChI=1S/C17H14F2N2O2/c1-10(22)21-17(11-3-2-4-13(23)7-11)9-16(20-21)14-8-12(18)5-6-15(14)19/h2-8,17,23H,9H2,1H3
InChIKeyYLSHULIHKQRKEM-UHFFFAOYSA-N
XLogP3.37
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5S)-3-(2-chlorophenyl)-5-(3-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 9883349
1-[(5S)-3-(2,5-difluorophenyl)-5-(3-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 24901498
[3-[2-Acetyl-5-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]phenyl] sulfamate
CID 155558747
(S)-1-(4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-1(5H)-yl)-2,2-dimethylpropan-1-one
CID 44409718
1-[3-(4-Hydroxy-phenyl)-5-p-tolyl-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 135514579
3-[(5s)-1-Acetyl-3-(2-Chlorophenyl)-4,5-Dihydro-1h-Pyrazol-5-Yl]Phenol
CID 5288685
1-[5-(4-Chloro-phenyl)-3-(4-hydroxy-phenyl)-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 3391493
1-[3-(2-Chloro-phenyl)-5-(3-hydroxy-phenyl)-4,5-dihydro-pyrazol-1-yl]-2,2-dimethyl-propan-1-one
CID 44401630
1-[3-(4-Hydroxy-phenyl)-5-m-tolyl-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 135483618
1-[5-(3-Chloro-phenyl)-3-(4-hydroxy-phenyl)-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 135497038
1-[5-(2-Chloro-phenyl)-3-(4-hydroxy-phenyl)-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 135499808
1-[5-(2,4-Dihydroxyphenyl)-3-(3-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 136226203

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-difluorophenyl)-3-(3-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[5-(2,5-difluorophenyl)-3-(3-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone (CID 10236645) is 1-[5-(2,5-difluorophenyl)-3-(3-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2,5-difluorophenyl)-3-(3-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(2,5-difluorophenyl)-3-(3-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(c2cc(F)ccc2F)CC1c1cccc(O)c1.
What is the InChIKey of 1-[5-(2,5-difluorophenyl)-3-(3-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is YLSHULIHKQRKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c1-10(22)21-17(11-3-2-4-13(23)7-11)9-16(20-21)14-8-12(18)5-6-15(14)19/h2-8,17,23H,9H2,1H3.
What are the key properties of 1-[5-(2,5-difluorophenyl)-3-(3-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
1-[5-(2,5-difluorophenyl)-3-(3-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 316.31 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-difluorophenyl)-3-(3-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 10236645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).