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

C20H18N2O2 — CID 177249095

IUPAC1-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol
SMILESCOc1ccccc1C1CC(c2c(O)ccc3ccccc23)=NN1
InChIInChI=1S/C20H18N2O2/c1-24-19-9-5-4-8-15(19)16-12-17(22-21-16)20-14-7-3-2-6-13(14)10-11-18(20)23/h2-11,16,21,23H,12H2,1H3
InChIKeyPKYMIFBGLWUQLV-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.99
Rot. Bonds3

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

1-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol (PubChem CID 177249095) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol
PubChem CID177249095
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name1-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol
SMILESCOc1ccccc1C1CC(c2c(O)ccc3ccccc23)=NN1
InChIInChI=1S/C20H18N2O2/c1-24-19-9-5-4-8-15(19)16-12-17(22-21-16)20-14-7-3-2-6-13(14)10-11-18(20)23/h2-11,16,21,23H,12H2,1H3
InChIKeyPKYMIFBGLWUQLV-UHFFFAOYSA-N
XLogP3.99
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.99
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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Related Compounds

1-[5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol
CID 137156212
4,5-dimethoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 142742283
4-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 142742266
6-hydroxy-5-[(5R)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 136804405
1-[3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol
CID 177249154
5-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 142742270
2-[3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 75539209
3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one
CID 2869986
(3R)-3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one
CID 781607
3-[(5S)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one
CID 40529928
1-butyl-6-hydroxy-5-[(5S)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-sulfanylidenepyrimidin-4-one
CID 136887998
ethane;1-(2-hydroxy-3-methoxyphenyl)naphthalen-2-ol
CID 144695247

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol?
The IUPAC name of 1-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol (CID 177249095) is 1-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol?
The canonical SMILES for 1-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol is COc1ccccc1C1CC(c2c(O)ccc3ccccc23)=NN1.
What is the InChIKey of 1-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol?
The InChIKey is PKYMIFBGLWUQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-19-9-5-4-8-15(19)16-12-17(22-21-16)20-14-7-3-2-6-13(14)10-11-18(20)23/h2-11,16,21,23H,12H2,1H3.
What are the key properties of 1-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol?
1-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol has a molecular weight of 318.38 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol is sourced from PubChem (CID 177249095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).