4-[(4-hydroxy-2-methylphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one

C14H18N2O2 — CID 71718063

IUPAC4-[(4-hydroxy-2-methylphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one
SMILESCc1cc(O)ccc1Cc1c(C(C)C)[nH][nH]c1=O
InChIInChI=1S/C14H18N2O2/c1-8(2)13-12(14(18)16-15-13)7-10-4-5-11(17)6-9(10)3/h4-6,8,17H,7H2,1-3H3,(H2,15,16,18)
InChIKeyXCIGCFACZQONRA-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.43
Rot. Bonds3

About 4-[(4-hydroxy-2-methylphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one

4-[(4-hydroxy-2-methylphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one (PubChem CID 71718063) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[(4-hydroxy-2-methylphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(4-hydroxy-2-methylphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one
PubChem CID71718063
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-[(4-hydroxy-2-methylphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one
SMILESCc1cc(O)ccc1Cc1c(C(C)C)[nH][nH]c1=O
InChIInChI=1S/C14H18N2O2/c1-8(2)13-12(14(18)16-15-13)7-10-4-5-11(17)6-9(10)3/h4-6,8,17H,7H2,1-3H3,(H2,15,16,18)
InChIKeyXCIGCFACZQONRA-UHFFFAOYSA-N
XLogP2.43
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-[(4-hydroxy-2-methylphenyl)methyl]-5-propan-2-yl-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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-2-methylphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(4-hydroxy-2-methylphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one (CID 71718063) is 4-[(4-hydroxy-2-methylphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(4-hydroxy-2-methylphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(4-hydroxy-2-methylphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one is Cc1cc(O)ccc1Cc1c(C(C)C)[nH][nH]c1=O.
What is the InChIKey of 4-[(4-hydroxy-2-methylphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one?
The InChIKey is XCIGCFACZQONRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-8(2)13-12(14(18)16-15-13)7-10-4-5-11(17)6-9(10)3/h4-6,8,17H,7H2,1-3H3,(H2,15,16,18).
What are the key properties of 4-[(4-hydroxy-2-methylphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one?
4-[(4-hydroxy-2-methylphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one has a molecular weight of 246.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-2-methylphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 71718063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).