1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylpropan-1-one

C19H20N2O2 — CID 127030072

IUPAC1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylpropan-1-one
SMILESCC1=NN(C(=O)CCc2ccccc2)C(c2ccccc2O)C1
InChIInChI=1S/C19H20N2O2/c1-14-13-17(16-9-5-6-10-18(16)22)21(20-14)19(23)12-11-15-7-3-2-4-8-15/h2-10,17,22H,11-13H2,1H3
InChIKeyBXHCTKZTCQMHEO-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.67
Rot. Bonds4

About 1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylpropan-1-one

1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylpropan-1-one (PubChem CID 127030072) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylpropan-1-one
PubChem CID127030072
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylpropan-1-one
SMILESCC1=NN(C(=O)CCc2ccccc2)C(c2ccccc2O)C1
InChIInChI=1S/C19H20N2O2/c1-14-13-17(16-9-5-6-10-18(16)22)21(20-14)19(23)12-11-15-7-3-2-4-8-15/h2-10,17,22H,11-13H2,1H3
InChIKeyBXHCTKZTCQMHEO-UHFFFAOYSA-N
XLogP3.67
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(3R)-3-(2-hydroxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 7172762
4-[(3S)-5-(furan-2-yl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 97286795
4-[(3S)-5-(4-hydroxy-3-methoxyphenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 136845418
1-[3-(2,4-dichlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]butan-1-one
CID 122703772
[3-(2-hydroxy-3-methylphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 54581828
4-[(3S)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 96563642
4-[3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
CID 78429738
1-[(3R)-3-(2-hydroxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 97182849
1-[(3S)-3-(2-hydroxyphenyl)-5-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 7220051
2-bromo-1-[5-(4-fluorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 118726138
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
4-[5-(4-methylphenyl)-3-[4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 130318604

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylpropan-1-one (CID 127030072) is 1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylpropan-1-one is CC1=NN(C(=O)CCc2ccccc2)C(c2ccccc2O)C1.
What is the InChIKey of 1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylpropan-1-one?
The InChIKey is BXHCTKZTCQMHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-13-17(16-9-5-6-10-18(16)22)21(20-14)19(23)12-11-15-7-3-2-4-8-15/h2-10,17,22H,11-13H2,1H3.
What are the key properties of 1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylpropan-1-one?
1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylpropan-1-one has a molecular weight of 308.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 127030072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).