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

C16H16N2O — CID 4738335

IUPAC2-[5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESCc1ccc(C2CC(c3ccccc3O)=NN2)cc1
InChIInChI=1S/C16H16N2O/c1-11-6-8-12(9-7-11)14-10-15(18-17-14)13-4-2-3-5-16(13)19/h2-9,14,17,19H,10H2,1H3
InChIKeyAMVUXBJKOZVPMA-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.14
Rot. Bonds2

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

2-[5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (PubChem CID 4738335) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
PubChem CID4738335
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-[5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESCc1ccc(C2CC(c3ccccc3O)=NN2)cc1
InChIInChI=1S/C16H16N2O/c1-11-6-8-12(9-7-11)14-10-15(18-17-14)13-4-2-3-5-16(13)19/h2-9,14,17,19H,10H2,1H3
InChIKeyAMVUXBJKOZVPMA-UHFFFAOYSA-N
XLogP3.14
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The IUPAC name of 2-[5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (CID 4738335) is 2-[5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 2-[5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 2-[5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is Cc1ccc(C2CC(c3ccccc3O)=NN2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The InChIKey is AMVUXBJKOZVPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-6-8-12(9-7-11)14-10-15(18-17-14)13-4-2-3-5-16(13)19/h2-9,14,17,19H,10H2,1H3.
What are the key properties of 2-[5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
2-[5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol has a molecular weight of 252.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 4738335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).