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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Related Compounds

1-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol
CID 177249095
2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3830634
2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135900294
6-hydroxy-1,3-dimethyl-5-(5-naphthalen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione
CID 167015543
2-[(5S)-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135674916
4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135602935
2-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135604582
1-(3-chlorophenyl)-6-hydroxy-5-[(5R)-5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4-dione
CID 136804668
5-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 142742270
2-[5-[4-(2H-tetrazol-5-yl)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 139267186
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
4-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 142742266

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).