4-(2-hydroxyethyl)-5-methyl-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one

C15H20N2O2 — CID 116817681

IUPAC4-(2-hydroxyethyl)-5-methyl-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one
SMILESCC1=NN(c2ccc(C(C)C)cc2)C(=O)C1CCO
InChIInChI=1S/C15H20N2O2/c1-10(2)12-4-6-13(7-5-12)17-15(19)14(8-9-18)11(3)16-17/h4-7,10,14,18H,8-9H2,1-3H3
InChIKeyDZYXVJHUKGVQCW-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.53
Rot. Bonds4

About 4-(2-hydroxyethyl)-5-methyl-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one

4-(2-hydroxyethyl)-5-methyl-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one (PubChem CID 116817681) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-5-methyl-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-5-methyl-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one
PubChem CID116817681
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-(2-hydroxyethyl)-5-methyl-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one
SMILESCC1=NN(c2ccc(C(C)C)cc2)C(=O)C1CCO
InChIInChI=1S/C15H20N2O2/c1-10(2)12-4-6-13(7-5-12)17-15(19)14(8-9-18)11(3)16-17/h4-7,10,14,18H,8-9H2,1-3H3
InChIKeyDZYXVJHUKGVQCW-UHFFFAOYSA-N
XLogP2.53
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-(4-chlorophenyl)-4-ethyl-5-methyl-4H-pyrazol-3-one
CID 1202306
4-[(4R)-3-methyl-4-[[(4R)-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]methyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
CID 125126956
2-(2,4-difluorophenyl)-4-(2-hydroxyethyl)-5-methyl-4H-pyrazol-3-one
CID 116817689
2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-oxo-4-(4-propan-2-ylphenyl)butanoic acid
CID 2737759
2-(hydroxyamino)-4-(2-hydroxyethyl)-5-methyl-4H-pyrazol-3-one
CID 175713847
10-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)decyl-triphenylphosphanium bromide
CID 172781383
4-(3-aminopropyl)-2-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-one
CID 63972233
2-(3-chloro-4-methylphenyl)-4-ethyl-5-methyl-4H-pyrazol-3-one
CID 60646276
2-[3-methyl-1-(4-nitrophenyl)-5-oxo-4H-pyrazol-4-yl]acetic acid
CID 43150045
5-methyl-2-phenyl-4-prop-2-ynyl-4H-pyrazol-3-one
CID 164681322
4-(2-hydroxyethyl)-1-(4-nitrophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
CID 53263019
2-[1-(4-methoxyphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetonitrile
CID 116817716

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-5-methyl-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one?
The IUPAC name of 4-(2-hydroxyethyl)-5-methyl-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one (CID 116817681) is 4-(2-hydroxyethyl)-5-methyl-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-5-methyl-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one?
The canonical SMILES for 4-(2-hydroxyethyl)-5-methyl-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one is CC1=NN(c2ccc(C(C)C)cc2)C(=O)C1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)-5-methyl-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one?
The InChIKey is DZYXVJHUKGVQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)12-4-6-13(7-5-12)17-15(19)14(8-9-18)11(3)16-17/h4-7,10,14,18H,8-9H2,1-3H3.
What are the key properties of 4-(2-hydroxyethyl)-5-methyl-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one?
4-(2-hydroxyethyl)-5-methyl-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one has a molecular weight of 260.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-5-methyl-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one is sourced from PubChem (CID 116817681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).