2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol

C21H22N2O3 — CID 1400510

IUPAC2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol
SMILESC=C(C)COc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)cc2)c(O)c1
InChIInChI=1S/C21H22N2O3/c1-13(2)12-26-17-9-10-18(19(24)11-17)21-20(14(3)22-23-21)15-5-7-16(25-4)8-6-15/h5-11,24H,1,12H2,2-4H3,(H,22,23)
InChIKeyFHWZHNLEUUCFPV-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.72
Rot. Bonds6

About 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol

2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol (PubChem CID 1400510) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol
PubChem CID1400510
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol
SMILESC=C(C)COc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)cc2)c(O)c1
InChIInChI=1S/C21H22N2O3/c1-13(2)12-26-17-9-10-18(19(24)11-17)21-20(14(3)22-23-21)15-5-7-16(25-4)8-6-15/h5-11,24H,1,12H2,2-4H3,(H,22,23)
InChIKeyFHWZHNLEUUCFPV-UHFFFAOYSA-N
XLogP4.72
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol 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 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol?
The IUPAC name of 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol (CID 1400510) is 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol is C=C(C)COc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)cc2)c(O)c1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol?
The InChIKey is FHWZHNLEUUCFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13(2)12-26-17-9-10-18(19(24)11-17)21-20(14(3)22-23-21)15-5-7-16(25-4)8-6-15/h5-11,24H,1,12H2,2-4H3,(H,22,23).
What are the key properties of 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol?
2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol has a molecular weight of 350.42 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-(2-methylprop-2-enoxy)phenol is sourced from PubChem (CID 1400510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).