5-ethyl-2-methyl-4-phenylmethoxy-1H-pyrazol-3-one

C13H16N2O2 — CID 118244689

IUPAC5-ethyl-2-methyl-4-phenylmethoxy-1H-pyrazol-3-one
SMILESCCc1[nH]n(C)c(=O)c1OCc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-3-11-12(13(16)15(2)14-11)17-9-10-7-5-4-6-8-10/h4-8,14H,3,9H2,1-2H3
InChIKeyVNGINYPPHYQEKS-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.85
Rot. Bonds4

About 5-ethyl-2-methyl-4-phenylmethoxy-1H-pyrazol-3-one

5-ethyl-2-methyl-4-phenylmethoxy-1H-pyrazol-3-one (PubChem CID 118244689) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-ethyl-2-methyl-4-phenylmethoxy-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-ethyl-2-methyl-4-phenylmethoxy-1H-pyrazol-3-one
PubChem CID118244689
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-ethyl-2-methyl-4-phenylmethoxy-1H-pyrazol-3-one
SMILESCCc1[nH]n(C)c(=O)c1OCc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-3-11-12(13(16)15(2)14-11)17-9-10-7-5-4-6-8-10/h4-8,14H,3,9H2,1-2H3
InChIKeyVNGINYPPHYQEKS-UHFFFAOYSA-N
XLogP1.85
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(diethylaminomethyl)-2-ethyl-3-phenylmethoxy-1H-pyridin-4-one
CID 42631078
2-ethyl-1-(2-fluoroethyl)-3-phenylmethoxypyridin-4-one
CID 118407952
3-phenylmethoxy-1H-azet-2-one
CID 174589199
1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene
CID 142077651
1-ethyl-3-phenyl-2-phenylmethoxybenzene
CID 123935467
4-ethyl-5-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 123774100
3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one
CID 169449042
1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one
CID 91337677
1-butyl-7-hydroxy-3,4-bis(phenylmethoxy)quinolin-2-one
CID 139717687
4-butoxy-1-methyl-3,7-bis(phenylmethoxy)quinolin-2-one
CID 139717135
3-(aminomethyl)-6-chloro-2-methyl-4-phenylmethoxyisoquinolin-1-one;hydrochloride
CID 22175765
3-methyl-2-methylsulfanyl-5-phenylmethoxypyrimidin-4-one
CID 165352781

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-4-phenylmethoxy-1H-pyrazol-3-one?
The IUPAC name of 5-ethyl-2-methyl-4-phenylmethoxy-1H-pyrazol-3-one (CID 118244689) is 5-ethyl-2-methyl-4-phenylmethoxy-1H-pyrazol-3-one.
What is the SMILES notation for 5-ethyl-2-methyl-4-phenylmethoxy-1H-pyrazol-3-one?
The canonical SMILES for 5-ethyl-2-methyl-4-phenylmethoxy-1H-pyrazol-3-one is CCc1[nH]n(C)c(=O)c1OCc1ccccc1.
What is the InChIKey of 5-ethyl-2-methyl-4-phenylmethoxy-1H-pyrazol-3-one?
The InChIKey is VNGINYPPHYQEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-11-12(13(16)15(2)14-11)17-9-10-7-5-4-6-8-10/h4-8,14H,3,9H2,1-2H3.
What are the key properties of 5-ethyl-2-methyl-4-phenylmethoxy-1H-pyrazol-3-one?
5-ethyl-2-methyl-4-phenylmethoxy-1H-pyrazol-3-one has a molecular weight of 232.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-4-phenylmethoxy-1H-pyrazol-3-one is sourced from PubChem (CID 118244689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).