2-[3-(2-hydroxyethoxy)phenyl]-5-methyl-4H-pyrazol-3-one

C12H14N2O3 — CID 131886449

IUPAC2-[3-(2-hydroxyethoxy)phenyl]-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2cccc(OCCO)c2)C(=O)C1
InChIInChI=1S/C12H14N2O3/c1-9-7-12(16)14(13-9)10-3-2-4-11(8-10)17-6-5-15/h2-4,8,15H,5-7H2,1H3
InChIKeyBHVJWCNVUCINAZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.17
Rot. Bonds4

About 2-[3-(2-hydroxyethoxy)phenyl]-5-methyl-4H-pyrazol-3-one

2-[3-(2-hydroxyethoxy)phenyl]-5-methyl-4H-pyrazol-3-one (PubChem CID 131886449) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethoxy)phenyl]-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-[3-(2-hydroxyethoxy)phenyl]-5-methyl-4H-pyrazol-3-one
PubChem CID131886449
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-[3-(2-hydroxyethoxy)phenyl]-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2cccc(OCCO)c2)C(=O)C1
InChIInChI=1S/C12H14N2O3/c1-9-7-12(16)14(13-9)10-3-2-4-11(8-10)17-6-5-15/h2-4,8,15H,5-7H2,1H3
InChIKeyBHVJWCNVUCINAZ-UHFFFAOYSA-N
XLogP1.17
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)phenyl]-5-methyl-4H-pyrazol-3-one
CID 82506511
5-methyl-2-(3-methylsulfanylphenyl)-4H-pyrazol-3-one
CID 10214499
2-(4-ethoxyphenyl)-5-methyl-4H-pyrazol-3-one
CID 10236105
2-[4-[2-(3,4-dihydroxyphenyl)ethenyl]phenyl]-5-methyl-4H-pyrazol-3-one
CID 68740039
3-[3-(1,2,4-triazol-4-yl)phenoxy]propanoic acid
CID 82513156
methyl 2-[3-(2-hydroxyethoxy)phenyl]acetate
CID 134821202
2-[1-[3-(2-hydroxyethoxy)phenyl]pyrazol-3-yl]-2-methylpropan-1-ol
CID 141134073
1-(3-hydroxyphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
CID 83889206
N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46957520
5-(3,4-dimethylphenyl)-2-phenyl-4H-pyrazol-3-one
CID 11807549
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol
CID 102155693

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethoxy)phenyl]-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 2-[3-(2-hydroxyethoxy)phenyl]-5-methyl-4H-pyrazol-3-one (CID 131886449) is 2-[3-(2-hydroxyethoxy)phenyl]-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-[3-(2-hydroxyethoxy)phenyl]-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 2-[3-(2-hydroxyethoxy)phenyl]-5-methyl-4H-pyrazol-3-one is CC1=NN(c2cccc(OCCO)c2)C(=O)C1.
What is the InChIKey of 2-[3-(2-hydroxyethoxy)phenyl]-5-methyl-4H-pyrazol-3-one?
The InChIKey is BHVJWCNVUCINAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-9-7-12(16)14(13-9)10-3-2-4-11(8-10)17-6-5-15/h2-4,8,15H,5-7H2,1H3.
What are the key properties of 2-[3-(2-hydroxyethoxy)phenyl]-5-methyl-4H-pyrazol-3-one?
2-[3-(2-hydroxyethoxy)phenyl]-5-methyl-4H-pyrazol-3-one has a molecular weight of 234.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethoxy)phenyl]-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 131886449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).