2-(4-ethoxyphenyl)-5-(imidazol-1-ylmethyl)-4H-pyrazol-3-one

C15H16N4O2 — CID 67838009

IUPAC2-(4-ethoxyphenyl)-5-(imidazol-1-ylmethyl)-4H-pyrazol-3-one
SMILESCCOc1ccc(N2N=C(Cn3ccnc3)CC2=O)cc1
InChIInChI=1S/C15H16N4O2/c1-2-21-14-5-3-13(4-6-14)19-15(20)9-12(17-19)10-18-8-7-16-11-18/h3-8,11H,2,9-10H2,1H3
InChIKeyIYOWSKKTTSAOAP-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.07
Rot. Bonds5

About 2-(4-ethoxyphenyl)-5-(imidazol-1-ylmethyl)-4H-pyrazol-3-one

2-(4-ethoxyphenyl)-5-(imidazol-1-ylmethyl)-4H-pyrazol-3-one (PubChem CID 67838009) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-(imidazol-1-ylmethyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-(imidazol-1-ylmethyl)-4H-pyrazol-3-one
PubChem CID67838009
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-(4-ethoxyphenyl)-5-(imidazol-1-ylmethyl)-4H-pyrazol-3-one
SMILESCCOc1ccc(N2N=C(Cn3ccnc3)CC2=O)cc1
InChIInChI=1S/C15H16N4O2/c1-2-21-14-5-3-13(4-6-14)19-15(20)9-12(17-19)10-18-8-7-16-11-18/h3-8,11H,2,9-10H2,1H3
InChIKeyIYOWSKKTTSAOAP-UHFFFAOYSA-N
XLogP2.07
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-(imidazol-1-ylmethyl)-4H-pyrazol-3-one?
The IUPAC name of 2-(4-ethoxyphenyl)-5-(imidazol-1-ylmethyl)-4H-pyrazol-3-one (CID 67838009) is 2-(4-ethoxyphenyl)-5-(imidazol-1-ylmethyl)-4H-pyrazol-3-one.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-(imidazol-1-ylmethyl)-4H-pyrazol-3-one?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-(imidazol-1-ylmethyl)-4H-pyrazol-3-one is CCOc1ccc(N2N=C(Cn3ccnc3)CC2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-(imidazol-1-ylmethyl)-4H-pyrazol-3-one?
The InChIKey is IYOWSKKTTSAOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-2-21-14-5-3-13(4-6-14)19-15(20)9-12(17-19)10-18-8-7-16-11-18/h3-8,11H,2,9-10H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-(imidazol-1-ylmethyl)-4H-pyrazol-3-one?
2-(4-ethoxyphenyl)-5-(imidazol-1-ylmethyl)-4H-pyrazol-3-one has a molecular weight of 284.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-(imidazol-1-ylmethyl)-4H-pyrazol-3-one is sourced from PubChem (CID 67838009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).