5-[(3-phenylphenoxy)methyl]-1,2-dihydropyrazol-3-one

C16H14N2O2 — CID 56945551

IUPAC5-[(3-phenylphenoxy)methyl]-1,2-dihydropyrazol-3-one
SMILESO=c1cc(COc2cccc(-c3ccccc3)c2)[nH][nH]1
InChIInChI=1S/C16H14N2O2/c19-16-10-14(17-18-16)11-20-15-8-4-7-13(9-15)12-5-2-1-3-6-12/h1-10H,11H2,(H2,17,18,19)
InChIKeyCWGBCGMPIOFCCY-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.95
Rot. Bonds4

About 5-[(3-phenylphenoxy)methyl]-1,2-dihydropyrazol-3-one

5-[(3-phenylphenoxy)methyl]-1,2-dihydropyrazol-3-one (PubChem CID 56945551) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[(3-phenylphenoxy)methyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[(3-phenylphenoxy)methyl]-1,2-dihydropyrazol-3-one
PubChem CID56945551
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-[(3-phenylphenoxy)methyl]-1,2-dihydropyrazol-3-one
SMILESO=c1cc(COc2cccc(-c3ccccc3)c2)[nH][nH]1
InChIInChI=1S/C16H14N2O2/c19-16-10-14(17-18-16)11-20-15-8-4-7-13(9-15)12-5-2-1-3-6-12/h1-10H,11H2,(H2,17,18,19)
InChIKeyCWGBCGMPIOFCCY-UHFFFAOYSA-N
XLogP2.95
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[(3-phenylphenoxy)methyl]-1,2-dihydropyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-tert-Butylphenoxy)methyl]-1,2-dihydro-3H-pyrazol-3-one
CID 56945439
5-[(3-Ethylphenoxy)methyl]-1,2-dihydropyrazol-3-one
CID 56945438
5-[[3,5-Bis(trifluoromethyl)phenoxy]methyl]-1,2-dihydropyrazol-3-one
CID 56945440
6-[2-(3-Methoxyphenyl)ethyl]-1,2-dihydropyridazine-3,4-dione
CID 71655605
2-(2-Phenylphenoxy)acetohydrazide
CID 870676
3-(3-ethoxyphenyl)-1H-pyrazol-5-ol
CID 1260077
5-[(4-Ethylphenoxy)methyl]-1,2-dihydropyrazol-3-one
CID 56945437
5-[(3,5-Diphenylphenoxy)methyl]-1,2-dihydropyrazol-3-one
CID 56945552
4,4'-({3-[(4-fluorobenzyl)oxy]phenyl}methylene)bis(3-methyl-1H-pyrazol-5-ol)
CID 2940429
Acetic acid, (3-pentadecylphenoxy)-, hydrazide
CID 3088311
3-[(4-methyl-3-phenoxyphenyl)methyl]-1H-pyrazol-5-ol
CID 24885077
5-Methyl-2-[2-(naphthalen-2-yloxy)-ethyl]-2,4-dihydro-pyrazol-3-one
CID 22769190

Frequently Asked Questions

What is the IUPAC name of 5-[(3-phenylphenoxy)methyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[(3-phenylphenoxy)methyl]-1,2-dihydropyrazol-3-one (CID 56945551) is 5-[(3-phenylphenoxy)methyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[(3-phenylphenoxy)methyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[(3-phenylphenoxy)methyl]-1,2-dihydropyrazol-3-one is O=c1cc(COc2cccc(-c3ccccc3)c2)[nH][nH]1.
What is the InChIKey of 5-[(3-phenylphenoxy)methyl]-1,2-dihydropyrazol-3-one?
The InChIKey is CWGBCGMPIOFCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-16-10-14(17-18-16)11-20-15-8-4-7-13(9-15)12-5-2-1-3-6-12/h1-10H,11H2,(H2,17,18,19).
What are the key properties of 5-[(3-phenylphenoxy)methyl]-1,2-dihydropyrazol-3-one?
5-[(3-phenylphenoxy)methyl]-1,2-dihydropyrazol-3-one has a molecular weight of 266.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-phenylphenoxy)methyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 56945551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).