(3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one

C19H18N2O2 — CID 102125729

IUPAC(3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one
SMILESCOc1ccc([C@@H](CC(=O)c2ccccc2)n2cccn2)cc1
InChIInChI=1S/C19H18N2O2/c1-23-17-10-8-15(9-11-17)18(21-13-5-12-20-21)14-19(22)16-6-3-2-4-7-16/h2-13,18H,14H2,1H3/t18-/m1/s1
InChIKeyYFCWEEOEPASYAL-GOSISDBHSA-N
MW306.37 g/mol
LogP3.75
Rot. Bonds6

About (3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one

(3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one (PubChem CID 102125729) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one
PubChem CID102125729
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one
SMILESCOc1ccc([C@@H](CC(=O)c2ccccc2)n2cccn2)cc1
InChIInChI=1S/C19H18N2O2/c1-23-17-10-8-15(9-11-17)18(21-13-5-12-20-21)14-19(22)16-6-3-2-4-7-16/h2-13,18H,14H2,1H3/t18-/m1/s1
InChIKeyYFCWEEOEPASYAL-GOSISDBHSA-N
XLogP3.75
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-phenyl-3-pyrazol-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 102125723
3-(4-methoxyphenyl)-3-[5-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]-1H-pyrrol-2-yl]-1-phenylpropan-1-one
CID 102404117
(3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione
CID 23661145
3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 15639389
4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 71421950
diethyl 2-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]propanedioate
CID 97304069
2-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]benzoic acid
CID 11078900
N-(3-phenyl-3-pyrazol-1-ylpropanoyl)benzamide
CID 146165038
3-(hydroxymethylsulfanyl)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 66695276
(3R)-1,3-diphenyl-3-(1,2,4-triazol-1-yl)propan-1-one
CID 40573311
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
3-(benzenesulfonyl)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 3135155

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of (3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one (CID 102125729) is (3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for (3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for (3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one is COc1ccc([C@@H](CC(=O)c2ccccc2)n2cccn2)cc1.
What is the InChIKey of (3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one?
The InChIKey is YFCWEEOEPASYAL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-23-17-10-8-15(9-11-17)18(21-13-5-12-20-21)14-19(22)16-6-3-2-4-7-16/h2-13,18H,14H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one?
(3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one has a molecular weight of 306.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methoxyphenyl)-1-phenyl-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 102125729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).