2-[5-(2,3-dimethoxynaphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol

C22H22N2O4 — CID 142742285

IUPAC2-[5-(2,3-dimethoxynaphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C2=NNC(c3c(OC)c(OC)cc4ccccc34)C2)c1
InChIInChI=1S/C22H22N2O4/c1-26-14-8-9-19(25)16(11-14)17-12-18(24-23-17)21-15-7-5-4-6-13(15)10-20(27-2)22(21)28-3/h4-11,18,24-25H,12H2,1-3H3
InChIKeyWULAALODVLUYID-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.01
Rot. Bonds5

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

2-[5-(2,3-dimethoxynaphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol (PubChem CID 142742285) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[5-(2,3-dimethoxynaphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[5-(2,3-dimethoxynaphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol
PubChem CID142742285
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name2-[5-(2,3-dimethoxynaphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C2=NNC(c3c(OC)c(OC)cc4ccccc34)C2)c1
InChIInChI=1S/C22H22N2O4/c1-26-14-8-9-19(25)16(11-14)17-12-18(24-23-17)21-15-7-5-4-6-13(15)10-20(27-2)22(21)28-3/h4-11,18,24-25H,12H2,1-3H3
InChIKeyWULAALODVLUYID-UHFFFAOYSA-N
XLogP4.01
TPSA72.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
2-[(5S)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol
CID 136670257
5-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 142742270
4,5-dimethoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 142742283
2-[(5S)-5-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol
CID 135590845
1-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol
CID 177249095
4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135602935
5-anthracen-9-yl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole
CID 54597436
5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-4,5-dihydro-1H-pyrazole
CID 14531319
2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3830634
4-[2-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-methylphenoxy]-2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 177007342
2-[(2R,6S)-6-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-4-yl]phenol
CID 136845462

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dimethoxynaphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol?
The IUPAC name of 2-[5-(2,3-dimethoxynaphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol (CID 142742285) is 2-[5-(2,3-dimethoxynaphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol.
What is the SMILES notation for 2-[5-(2,3-dimethoxynaphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol?
The canonical SMILES for 2-[5-(2,3-dimethoxynaphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol is COc1ccc(O)c(C2=NNC(c3c(OC)c(OC)cc4ccccc34)C2)c1.
What is the InChIKey of 2-[5-(2,3-dimethoxynaphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol?
The InChIKey is WULAALODVLUYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-14-8-9-19(25)16(11-14)17-12-18(24-23-17)21-15-7-5-4-6-13(15)10-20(27-2)22(21)28-3/h4-11,18,24-25H,12H2,1-3H3.
What are the key properties of 2-[5-(2,3-dimethoxynaphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol?
2-[5-(2,3-dimethoxynaphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol has a molecular weight of 378.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dimethoxynaphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol is sourced from PubChem (CID 142742285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).