4,5-dimethoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol

C21H20N2O3 — CID 142742283

IUPAC4,5-dimethoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
SMILESCOc1cc(O)c(C2=NNC(c3cccc4ccccc34)C2)cc1OC
InChIInChI=1S/C21H20N2O3/c1-25-20-10-16(19(24)12-21(20)26-2)18-11-17(22-23-18)15-9-5-7-13-6-3-4-8-14(13)15/h3-10,12,17,22,24H,11H2,1-2H3
InChIKeyWBLVRABRPREETR-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.00
Rot. Bonds4

About 4,5-dimethoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol

4,5-dimethoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol (PubChem CID 142742283) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol.

Molecular Properties

Compound Name4,5-dimethoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
PubChem CID142742283
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name4,5-dimethoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
SMILESCOc1cc(O)c(C2=NNC(c3cccc4ccccc34)C2)cc1OC
InChIInChI=1S/C21H20N2O3/c1-25-20-10-16(19(24)12-21(20)26-2)18-11-17(22-23-18)15-9-5-7-13-6-3-4-8-14(13)15/h3-10,12,17,22,24H,11H2,1-2H3
InChIKeyWBLVRABRPREETR-UHFFFAOYSA-N
XLogP4.00
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 142742266
5-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 142742270
1-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol
CID 177249095
2-[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 75539209
4,5-dimethoxy-2-[2-(3-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-5-yl]phenol
CID 177249194
2-[5-(2,3-dimethoxynaphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol
CID 142742285
3-[(5S)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one
CID 40529928
4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135602935
3-[5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one
CID 4532763
2-[5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-fluorophenol
CID 2936913
4-bromo-2-[5-(6-methoxytetrazolo[1,5-a]quinolin-4-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 155517705
6-hydroxy-5-[(5R)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 136804405

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The IUPAC name of 4,5-dimethoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol (CID 142742283) is 4,5-dimethoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol.
What is the SMILES notation for 4,5-dimethoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The canonical SMILES for 4,5-dimethoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol is COc1cc(O)c(C2=NNC(c3cccc4ccccc34)C2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The InChIKey is WBLVRABRPREETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-25-20-10-16(19(24)12-21(20)26-2)18-11-17(22-23-18)15-9-5-7-13-6-3-4-8-14(13)15/h3-10,12,17,22,24H,11H2,1-2H3.
What are the key properties of 4,5-dimethoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
4,5-dimethoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol has a molecular weight of 348.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol is sourced from PubChem (CID 142742283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).