3-[2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-6-fluoronaphthalen-1-ol

C18H19FN2O — CID 168854421

IUPAC3-[2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-6-fluoronaphthalen-1-ol
SMILESCCc1cc(CCc2cc(O)c3ccc(F)cc3c2)n(C)n1
InChIInChI=1S/C18H19FN2O/c1-3-15-11-16(21(2)20-15)6-4-12-8-13-10-14(19)5-7-17(13)18(22)9-12/h5,7-11,22H,3-4,6H2,1-2H3
InChIKeyMSNGDFKGXABJDQ-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.77
Rot. Bonds4

About 3-[2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-6-fluoronaphthalen-1-ol

3-[2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-6-fluoronaphthalen-1-ol (PubChem CID 168854421) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-[2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-6-fluoronaphthalen-1-ol.

Molecular Properties

Compound Name3-[2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-6-fluoronaphthalen-1-ol
PubChem CID168854421
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name3-[2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-6-fluoronaphthalen-1-ol
SMILESCCc1cc(CCc2cc(O)c3ccc(F)cc3c2)n(C)n1
InChIInChI=1S/C18H19FN2O/c1-3-15-11-16(21(2)20-15)6-4-12-8-13-10-14(19)5-7-17(13)18(22)9-12/h5,7-11,22H,3-4,6H2,1-2H3
InChIKeyMSNGDFKGXABJDQ-UHFFFAOYSA-N
XLogP3.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(Dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol
CID 25192947
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
4-(5-(2,5-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl)phenol
CID 135546507
(e)-3-(3,5-Dimethyl-1h-pyrazol-1-yl)-n'-((2-hydroxynaphthalen-1-yl)methylene)propanehydrazide
CID 135541142
1-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)imino]methyl}-2-naphthol
CID 780497
2,6-Di-tert-butyl-4-[2-(1,5-dimethyl-1H-pyrazol-3-yl)-vinyl]-phenol
CID 135827482
2,6-Di-tert-butyl-4-[2-(2,5-dimethyl-2H-pyrazol-3-yl)-vinyl]-phenol
CID 135827490
6-[2-(2,2,2-Trifluoroethyl)pyrazol-3-yl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
CID 136259467
1-{(E)-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)imino]methyl}naphthalen-2-ol
CID 671056
1-(5-Methyl-1-phenyl-pyrazol-3-yl)naphthalen-2-ol
CID 135465490
1-[5-Methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]naphthalen-2-ol
CID 135465491

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-6-fluoronaphthalen-1-ol?
The IUPAC name of 3-[2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-6-fluoronaphthalen-1-ol (CID 168854421) is 3-[2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-6-fluoronaphthalen-1-ol.
What is the SMILES notation for 3-[2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-6-fluoronaphthalen-1-ol?
The canonical SMILES for 3-[2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-6-fluoronaphthalen-1-ol is CCc1cc(CCc2cc(O)c3ccc(F)cc3c2)n(C)n1.
What is the InChIKey of 3-[2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-6-fluoronaphthalen-1-ol?
The InChIKey is MSNGDFKGXABJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-3-15-11-16(21(2)20-15)6-4-12-8-13-10-14(19)5-7-17(13)18(22)9-12/h5,7-11,22H,3-4,6H2,1-2H3.
What are the key properties of 3-[2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-6-fluoronaphthalen-1-ol?
3-[2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-6-fluoronaphthalen-1-ol has a molecular weight of 298.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-6-fluoronaphthalen-1-ol is sourced from PubChem (CID 168854421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).