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

C19H18N2O2 — CID 127033043

IUPAC(E)-1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one
SMILESCC1=NN(C(=O)/C=C/c2ccccc2)C(c2ccccc2O)C1
InChIInChI=1S/C19H18N2O2/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/h2-12,17,22H,13H2,1H3/b12-11+
InChIKeyLKLKDEHWEJOHLX-VAWYXSNFSA-N
MW306.37 g/mol
LogP3.75
Rot. Bonds3

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

(E)-1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one (PubChem CID 127033043) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (E)-1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one
PubChem CID127033043
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(E)-1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one
SMILESCC1=NN(C(=O)/C=C/c2ccccc2)C(c2ccccc2O)C1
InChIInChI=1S/C19H18N2O2/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/h2-12,17,22H,13H2,1H3/b12-11+
InChIKeyLKLKDEHWEJOHLX-VAWYXSNFSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one (CID 127033043) is (E)-1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one is CC1=NN(C(=O)/C=C/c2ccccc2)C(c2ccccc2O)C1.
What is the InChIKey of (E)-1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one?
The InChIKey is LKLKDEHWEJOHLX-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H18N2O2/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/h2-12,17,22H,13H2,1H3/b12-11+.
What are the key properties of (E)-1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one?
(E)-1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one has a molecular weight of 306.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 127033043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).