1-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol

C19H16N2O2 — CID 137156212

IUPAC1-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol
SMILESOc1ccc(C2CC(c3c(O)ccc4ccccc34)=NN2)cc1
InChIInChI=1S/C19H16N2O2/c22-14-8-5-13(6-9-14)16-11-17(21-20-16)19-15-4-2-1-3-12(15)7-10-18(19)23/h1-10,16,20,22-23H,11H2
InChIKeyQGZGVMLOZJGUAA-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.69
Rot. Bonds2

About 1-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol

1-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol (PubChem CID 137156212) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol
PubChem CID137156212
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name1-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol
SMILESOc1ccc(C2CC(c3c(O)ccc4ccccc34)=NN2)cc1
InChIInChI=1S/C19H16N2O2/c22-14-8-5-13(6-9-14)16-11-17(21-20-16)19-15-4-2-1-3-12(15)7-10-18(19)23/h1-10,16,20,22-23H,11H2
InChIKeyQGZGVMLOZJGUAA-UHFFFAOYSA-N
XLogP3.69
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.69
H-Bond Donors ≤ 53
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 1-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol?
The IUPAC name of 1-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol (CID 137156212) is 1-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol?
The canonical SMILES for 1-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol is Oc1ccc(C2CC(c3c(O)ccc4ccccc34)=NN2)cc1.
What is the InChIKey of 1-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol?
The InChIKey is QGZGVMLOZJGUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-14-8-5-13(6-9-14)16-11-17(21-20-16)19-15-4-2-1-3-12(15)7-10-18(19)23/h1-10,16,20,22-23H,11H2.
What are the key properties of 1-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol?
1-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol has a molecular weight of 304.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol is sourced from PubChem (CID 137156212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).