6-(3-hydroxyphenyl)-1-(1-methylpyrazol-4-yl)naphthalen-2-ol

C20H16N2O2 — CID 50942605

IUPAC6-(3-hydroxyphenyl)-1-(1-methylpyrazol-4-yl)naphthalen-2-ol
SMILESCn1cc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)cn1
InChIInChI=1S/C20H16N2O2/c1-22-12-16(11-21-22)20-18-7-5-14(9-15(18)6-8-19(20)24)13-3-2-4-17(23)10-13/h2-12,23-24H,1H3
InChIKeyFWEYEXQGPATDLB-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.32
Rot. Bonds2

About 6-(3-hydroxyphenyl)-1-(1-methylpyrazol-4-yl)naphthalen-2-ol

6-(3-hydroxyphenyl)-1-(1-methylpyrazol-4-yl)naphthalen-2-ol (PubChem CID 50942605) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-(3-hydroxyphenyl)-1-(1-methylpyrazol-4-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(3-hydroxyphenyl)-1-(1-methylpyrazol-4-yl)naphthalen-2-ol
PubChem CID50942605
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name6-(3-hydroxyphenyl)-1-(1-methylpyrazol-4-yl)naphthalen-2-ol
SMILESCn1cc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)cn1
InChIInChI=1S/C20H16N2O2/c1-22-12-16(11-21-22)20-18-7-5-14(9-15(18)6-8-19(20)24)13-3-2-4-17(23)10-13/h2-12,23-24H,1H3
InChIKeyFWEYEXQGPATDLB-UHFFFAOYSA-N
XLogP4.32
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-Methyl-3-(pyridin-4-yl)-1h-pyrazol-4-yl)naphthalen-1-ol
CID 11601866
6-(1-Methyl-3-(pyridin-4-yl)-1h-pyrazol-4-yl)naphthalen-2-ol
CID 11659444
1-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)imino]methyl}-2-naphthol
CID 780497
7-Methoxy-8-(1-methyl-1H-pyrazol-4-yl)-naphthalene-2-carboxamidine
CID 44334703
4-(1-methyl-1H-pyrazol-4-yl)phenol
CID 79001945
(17Z)-17-[(Z)-(1,3-dimethylpyrazol-4-yl)methylidenehydrazinylidene]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
CID 5864184
2-(2-Methylpyrazol-3-yl)naphthalen-1-ol
CID 135453834
6-(1-Methylpyrazol-3-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
CID 136259458
6-(1-Tert-butylpyrazol-3-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
CID 136259459
6-[1-(Methoxymethyl)pyrazol-3-yl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
CID 136259465
6-(2-Benzylpyrazol-3-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
CID 136259470
4,5-Dimethyl-2-[4-methyl-2-(o-tolyl)pyrazol-3-yl]phenol
CID 135465496

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyphenyl)-1-(1-methylpyrazol-4-yl)naphthalen-2-ol?
The IUPAC name of 6-(3-hydroxyphenyl)-1-(1-methylpyrazol-4-yl)naphthalen-2-ol (CID 50942605) is 6-(3-hydroxyphenyl)-1-(1-methylpyrazol-4-yl)naphthalen-2-ol.
What is the SMILES notation for 6-(3-hydroxyphenyl)-1-(1-methylpyrazol-4-yl)naphthalen-2-ol?
The canonical SMILES for 6-(3-hydroxyphenyl)-1-(1-methylpyrazol-4-yl)naphthalen-2-ol is Cn1cc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)cn1.
What is the InChIKey of 6-(3-hydroxyphenyl)-1-(1-methylpyrazol-4-yl)naphthalen-2-ol?
The InChIKey is FWEYEXQGPATDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-22-12-16(11-21-22)20-18-7-5-14(9-15(18)6-8-19(20)24)13-3-2-4-17(23)10-13/h2-12,23-24H,1H3.
What are the key properties of 6-(3-hydroxyphenyl)-1-(1-methylpyrazol-4-yl)naphthalen-2-ol?
6-(3-hydroxyphenyl)-1-(1-methylpyrazol-4-yl)naphthalen-2-ol has a molecular weight of 316.36 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyphenyl)-1-(1-methylpyrazol-4-yl)naphthalen-2-ol is sourced from PubChem (CID 50942605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).