4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol

C17H18N2O — CID 43826645

IUPAC4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
SMILESCc1ccc(C2=NNC(c3cc(C)ccc3O)C2)cc1
InChIInChI=1S/C17H18N2O/c1-11-3-6-13(7-4-11)15-10-16(19-18-15)14-9-12(2)5-8-17(14)20/h3-9,16,19-20H,10H2,1-2H3
InChIKeyHEHCEBOIJQCBPV-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.45
Rot. Bonds2

About 4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol

4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol (PubChem CID 43826645) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
PubChem CID43826645
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
SMILESCc1ccc(C2=NNC(c3cc(C)ccc3O)C2)cc1
InChIInChI=1S/C17H18N2O/c1-11-3-6-13(7-4-11)15-10-16(19-18-15)14-9-12(2)5-8-17(14)20/h3-9,16,19-20H,10H2,1-2H3
InChIKeyHEHCEBOIJQCBPV-UHFFFAOYSA-N
XLogP3.45
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The IUPAC name of 4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol (CID 43826645) is 4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol is Cc1ccc(C2=NNC(c3cc(C)ccc3O)C2)cc1.
What is the InChIKey of 4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The InChIKey is HEHCEBOIJQCBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11-3-6-13(7-4-11)15-10-16(19-18-15)14-9-12(2)5-8-17(14)20/h3-9,16,19-20H,10H2,1-2H3.
What are the key properties of 4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol has a molecular weight of 266.34 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 43826645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).