[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-hydroxy-3-methylbenzoate

C19H18N2O4 — CID 7416486

IUPAC[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)c1O
InChIInChI=1S/C19H18N2O4/c1-13-6-5-9-15(18(13)23)19(24)25-12-17(22)21-11-10-16(20-21)14-7-3-2-4-8-14/h2-9,23H,10-12H2,1H3
InChIKeyJREWWKTVDGZOKT-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.49
Rot. Bonds4

About [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-hydroxy-3-methylbenzoate

[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 7416486) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-hydroxy-3-methylbenzoate
PubChem CID7416486
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)c1O
InChIInChI=1S/C19H18N2O4/c1-13-6-5-9-15(18(13)23)19(24)25-12-17(22)21-11-10-16(20-21)14-7-3-2-4-8-14/h2-9,23H,10-12H2,1H3
InChIKeyJREWWKTVDGZOKT-UHFFFAOYSA-N
XLogP2.49
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-hydroxy-3-methylbenzoate (CID 7416486) is [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)c1O.
What is the InChIKey of [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is JREWWKTVDGZOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-13-6-5-9-15(18(13)23)19(24)25-12-17(22)21-11-10-16(20-21)14-7-3-2-4-8-14/h2-9,23H,10-12H2,1H3.
What are the key properties of [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-hydroxy-3-methylbenzoate?
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-hydroxy-3-methylbenzoate has a molecular weight of 338.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 7416486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).