ethyl 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxylate

C19H20N2O4 — CID 137175235

IUPACethyl 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxylate
SMILESCCOC(=O)N1N=C(c2ccc(O)c(OC)c2)CC1c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-3-25-19(23)21-16(13-7-5-4-6-8-13)12-15(20-21)14-9-10-17(22)18(11-14)24-2/h4-11,16,22H,3,12H2,1-2H3
InChIKeyQSDDGSNZABYDPQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.71
Rot. Bonds4

About ethyl 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxylate

ethyl 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxylate (PubChem CID 137175235) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxylate
PubChem CID137175235
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Nameethyl 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxylate
SMILESCCOC(=O)N1N=C(c2ccc(O)c(OC)c2)CC1c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-3-25-19(23)21-16(13-7-5-4-6-8-13)12-15(20-21)14-9-10-17(22)18(11-14)24-2/h4-11,16,22H,3,12H2,1-2H3
InChIKeyQSDDGSNZABYDPQ-UHFFFAOYSA-N
XLogP3.71
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

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Related Compounds

1-(5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11580635
N-formyl-5-(-3'-methoxyphenyl)-3-phenylpyrazoline (1f)
CID 84973177
1-(5-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2954513
(4-hydroxy-3-methoxyphenyl)(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
CID 3149917
2-methoxy-4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 137174990
Methyl 5-(3-ethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carboxylate
CID 141733337
Methyl 5-(3-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carboxylate
CID 141733348
Methyl 5-(3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carboxylate
CID 141733355
Methyl 5-(3-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carboxylate
CID 141733361
2-methoxy-4-{(1Z)-N-[4-(4-methylbenzyl)piperazin-1-yl]ethanimidoyl}phenol
CID 135426045
2-benzyl-6-(3,4-dimethoxyphenyl)pyridazin-3(2H)-one
CID 7659902
4-(3,4-Dimethoxyphenyl)-2-[(3-hydroxyphenyl)methyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one
CID 11058336

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxylate?
The IUPAC name of ethyl 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxylate (CID 137175235) is ethyl 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxylate?
The canonical SMILES for ethyl 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxylate is CCOC(=O)N1N=C(c2ccc(O)c(OC)c2)CC1c1ccccc1.
What is the InChIKey of ethyl 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxylate?
The InChIKey is QSDDGSNZABYDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-25-19(23)21-16(13-7-5-4-6-8-13)12-15(20-21)14-9-10-17(22)18(11-14)24-2/h4-11,16,22H,3,12H2,1-2H3.
What are the key properties of ethyl 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxylate?
ethyl 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxylate is sourced from PubChem (CID 137175235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).