4-(2-methoxyethyl)-2-phenyl-1H-pyrazol-5-one

C12H14N2O2 — CID 14840400

IUPAC4-(2-methoxyethyl)-2-phenyl-1H-pyrazol-5-one
SMILESCOCCc1cn(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C12H14N2O2/c1-16-8-7-10-9-14(13-12(10)15)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,13,15)
InChIKeyHEPVQEGXQYECHC-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.35
Rot. Bonds4

About 4-(2-methoxyethyl)-2-phenyl-1H-pyrazol-5-one

4-(2-methoxyethyl)-2-phenyl-1H-pyrazol-5-one (PubChem CID 14840400) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-2-phenyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name4-(2-methoxyethyl)-2-phenyl-1H-pyrazol-5-one
PubChem CID14840400
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-(2-methoxyethyl)-2-phenyl-1H-pyrazol-5-one
SMILESCOCCc1cn(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C12H14N2O2/c1-16-8-7-10-9-14(13-12(10)15)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,13,15)
InChIKeyHEPVQEGXQYECHC-UHFFFAOYSA-N
XLogP1.35
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-2-phenyl-1H-pyrazol-5-one?
The IUPAC name of 4-(2-methoxyethyl)-2-phenyl-1H-pyrazol-5-one (CID 14840400) is 4-(2-methoxyethyl)-2-phenyl-1H-pyrazol-5-one.
What is the SMILES notation for 4-(2-methoxyethyl)-2-phenyl-1H-pyrazol-5-one?
The canonical SMILES for 4-(2-methoxyethyl)-2-phenyl-1H-pyrazol-5-one is COCCc1cn(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 4-(2-methoxyethyl)-2-phenyl-1H-pyrazol-5-one?
The InChIKey is HEPVQEGXQYECHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-16-8-7-10-9-14(13-12(10)15)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,13,15).
What are the key properties of 4-(2-methoxyethyl)-2-phenyl-1H-pyrazol-5-one?
4-(2-methoxyethyl)-2-phenyl-1H-pyrazol-5-one has a molecular weight of 218.26 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-2-phenyl-1H-pyrazol-5-one is sourced from PubChem (CID 14840400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).