2-(4-fluorophenoxy)-1-[(5R)-5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]ethanone

C19H19FN2O4 — CID 126367318

IUPAC2-(4-fluorophenoxy)-1-[(5R)-5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]ethanone
SMILESCOc1ccc([C@]2(O)CC(C)=NN2C(=O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2O4/c1-13-11-19(24,14-3-7-16(25-2)8-4-14)22(21-13)18(23)12-26-17-9-5-15(20)6-10-17/h3-10,24H,11-12H2,1-2H3/t19-/m1/s1
InChIKeyVGPJANAXHUAWNM-LJQANCHMSA-N
MW358.37 g/mol
LogP2.67
Rot. Bonds5

About 2-(4-fluorophenoxy)-1-[(5R)-5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]ethanone

2-(4-fluorophenoxy)-1-[(5R)-5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]ethanone (PubChem CID 126367318) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[(5R)-5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[(5R)-5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]ethanone
PubChem CID126367318
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name2-(4-fluorophenoxy)-1-[(5R)-5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]ethanone
SMILESCOc1ccc([C@]2(O)CC(C)=NN2C(=O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2O4/c1-13-11-19(24,14-3-7-16(25-2)8-4-14)22(21-13)18(23)12-26-17-9-5-15(20)6-10-17/h3-10,24H,11-12H2,1-2H3/t19-/m1/s1
InChIKeyVGPJANAXHUAWNM-LJQANCHMSA-N
XLogP2.67
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]ethanone
CID 101042440
1-[(5S)-5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethanone
CID 1275752
[5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone
CID 11836338
1-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-(2-methylphenoxy)ethanone
CID 2955383
1-[(5S)-5-(4-bromophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone
CID 1127177
ethyl 5-(4-chlorophenyl)-5-hydroxy-1-(2-phenoxyacetyl)-4H-pyrazole-3-carboxylate
CID 2884571
1-[(5S)-5-(4-bromophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 25276931
2-(4-fluorophenoxy)-1-[(5S)-5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CID 126346866
2-(3,5-dimethylphenoxy)-1-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CID 832113
1-[(5R)-5-hydroxy-5-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenylbutan-1-one
CID 7374968
[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[4-[(4-methoxyphenoxy)methyl]phenyl]methanone
CID 998536
2-(3,5-dimethylphenoxy)-1-[(5R)-3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CID 1166345

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[(5R)-5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[(5R)-5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]ethanone (CID 126367318) is 2-(4-fluorophenoxy)-1-[(5R)-5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[(5R)-5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[(5R)-5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]ethanone is COc1ccc([C@]2(O)CC(C)=NN2C(=O)COc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[(5R)-5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]ethanone?
The InChIKey is VGPJANAXHUAWNM-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-13-11-19(24,14-3-7-16(25-2)8-4-14)22(21-13)18(23)12-26-17-9-5-15(20)6-10-17/h3-10,24H,11-12H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-(4-fluorophenoxy)-1-[(5R)-5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]ethanone?
2-(4-fluorophenoxy)-1-[(5R)-5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]ethanone has a molecular weight of 358.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[(5R)-5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]ethanone is sourced from PubChem (CID 126367318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).