1-[(3R)-5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]ethanone

C19H18N2O2 — CID 136823562

IUPAC1-[(3R)-5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2O)C[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-14(22)21-16(12-11-15-7-3-2-4-8-15)13-18(20-21)17-9-5-6-10-19(17)23/h2-12,16,23H,13H2,1H3/b12-11+/t16-/m0/s1
InChIKeyLDNUTCASBOVNQQ-PCUGXKRQSA-N
MW306.37 g/mol
LogP3.43
Rot. Bonds3

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

1-[(3R)-5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 136823562) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[(3R)-5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID136823562
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-[(3R)-5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2O)C[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-14(22)21-16(12-11-15-7-3-2-4-8-15)13-18(20-21)17-9-5-6-10-19(17)23/h2-12,16,23H,13H2,1H3/b12-11+/t16-/m0/s1
InChIKeyLDNUTCASBOVNQQ-PCUGXKRQSA-N
XLogP3.43
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Related Compounds

2-[1-acetyl-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 4139639
1-[(5S)-3-(2,5-difluorophenyl)-5-(3-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 24901498
1-(3-(2,6-dihydroxyphenyl)-5-m-tolyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 135412828
1-(3-(2,4-dihydroxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 135509938
2-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]phenol
CID 135605950
1-[3-(2,5-Difluoro-phenyl)-5-(3-hydroxy-phenyl)-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 10236645
1-[3-(4-Hydroxy-phenyl)-5-p-tolyl-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 135514579
(3-(2-hydroxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 2954637
4,5-Dihydro-(1H)-pyrazole derivative, 3l
CID 135424775
4,5-Dihydro-(1H)-pyrazole derivative, 1c
CID 135445975
4,5-Dihydro-(1H)-pyrazole derivative, 3m
CID 135489458
4,5-Dihydro-(1H)-pyrazole derivative, 1e
CID 135525672

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[(3R)-5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]ethanone (CID 136823562) is 1-[(3R)-5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[(3R)-5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[(3R)-5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(c2ccccc2O)C[C@@H]1/C=C/c1ccccc1.
What is the InChIKey of 1-[(3R)-5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is LDNUTCASBOVNQQ-PCUGXKRQSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-14(22)21-16(12-11-15-7-3-2-4-8-15)13-18(20-21)17-9-5-6-10-19(17)23/h2-12,16,23H,13H2,1H3/b12-11+/t16-/m0/s1.
What are the key properties of 1-[(3R)-5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]ethanone?
1-[(3R)-5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 306.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 136823562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).