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

C16H16N2O2 — CID 3139422

IUPAC2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESCOc1ccc(C2CC(c3ccccc3O)=NN2)cc1
InChIInChI=1S/C16H16N2O2/c1-20-12-8-6-11(7-9-12)14-10-15(18-17-14)13-4-2-3-5-16(13)19/h2-9,14,17,19H,10H2,1H3
InChIKeyGVWZHAYQJIVQSO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.84
Rot. Bonds3

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

2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (PubChem CID 3139422) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
PubChem CID3139422
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESCOc1ccc(C2CC(c3ccccc3O)=NN2)cc1
InChIInChI=1S/C16H16N2O2/c1-20-12-8-6-11(7-9-12)14-10-15(18-17-14)13-4-2-3-5-16(13)19/h2-9,14,17,19H,10H2,1H3
InChIKeyGVWZHAYQJIVQSO-UHFFFAOYSA-N
XLogP2.84
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The IUPAC name of 2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (CID 3139422) is 2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is COc1ccc(C2CC(c3ccccc3O)=NN2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The InChIKey is GVWZHAYQJIVQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-20-12-8-6-11(7-9-12)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-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol has a molecular weight of 268.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 3139422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).