Ethyl 2-(4-benzylphenyl)-3-oxo-1H-pyrazole-5-carboxylate

Name: Ethyl 2-(4-benzylphenyl)-3-oxo-1H-pyrazole-5-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₁₈N₂O₃ — CID 139483807

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl 2-(4-benzylphenyl)-3-oxo-1H-pyrazole-5-carboxylate

SMILESCCOC(=O)c1cc(=O)n(-c2ccc(Cc3ccccc3)cc2)[nH]1

InChIInChI=1S/C19H18N2O3/c1-2-24-19(23)17-13-18(22)21(20-17)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h3-11,13,20H,2,12H2,1H3

InChIKeyMIYOXGASFQXFGO-UHFFFAOYSA-N

MW322.36 g/mol

LogP2.93

Rot. Bonds5

About Ethyl 2-(4-benzylphenyl)-3-oxo-1H-pyrazole-5-carboxylate

Ethyl 2-(4-benzylphenyl)-3-oxo-1H-pyrazole-5-carboxylate (PubChem CID 139483807) has the molecular formula C₁₉H₁₈N₂O₃ and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 2-(4-benzylphenyl)-3-oxo-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name	Ethyl 2-(4-benzylphenyl)-3-oxo-1H-pyrazole-5-carboxylate
PubChem CID	139483807
Molecular Formula	C₁₉H₁₈N₂O₃
Molecular Weight	322.36 g/mol
Exact Mass	322.13
IUPAC Name	ethyl 2-(4-benzylphenyl)-3-oxo-1H-pyrazole-5-carboxylate
SMILES	CCOC(=O)c1cc(=O)n(-c2ccc(Cc3ccccc3)cc2)[nH]1
InChI	InChI=1S/C19H18N2O3/c1-2-24-19(23)17-13-18(22)21(20-17)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h3-11,13,20H,2,12H2,1H3
InChIKey	MIYOXGASFQXFGO-UHFFFAOYSA-N
XLogP	2.93
TPSA	64.09 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.36
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Ethyl 2-(4-benzylphenyl)-3-oxo-1H-pyrazole-5-carboxylate?

The IUPAC name of Ethyl 2-(4-benzylphenyl)-3-oxo-1H-pyrazole-5-carboxylate (CID 139483807) is ethyl 2-(4-benzylphenyl)-3-oxo-1H-pyrazole-5-carboxylate.

What is the SMILES notation for Ethyl 2-(4-benzylphenyl)-3-oxo-1H-pyrazole-5-carboxylate?

The canonical SMILES for Ethyl 2-(4-benzylphenyl)-3-oxo-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(=O)n(-c2ccc(Cc3ccccc3)cc2)[nH]1.

What is the InChIKey of Ethyl 2-(4-benzylphenyl)-3-oxo-1H-pyrazole-5-carboxylate?

The InChIKey is MIYOXGASFQXFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-24-19(23)17-13-18(22)21(20-17)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h3-11,13,20H,2,12H2,1H3.

What are the key properties of Ethyl 2-(4-benzylphenyl)-3-oxo-1H-pyrazole-5-carboxylate?

Ethyl 2-(4-benzylphenyl)-3-oxo-1H-pyrazole-5-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 2-(4-benzylphenyl)-3-oxo-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 139483807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139483807 — identifiers, structure, computed properties (public domain)

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