6-fluoro-2-methyl-5-[(1-methylpyrazol-3-yl)methyl]naphthalen-1-ol

C16H15FN2O — CID 159544927

IUPAC6-fluoro-2-methyl-5-[(1-methylpyrazol-3-yl)methyl]naphthalen-1-ol
SMILESCc1ccc2c(Cc3ccn(C)n3)c(F)ccc2c1O
InChIInChI=1S/C16H15FN2O/c1-10-3-4-12-13(16(10)20)5-6-15(17)14(12)9-11-7-8-19(2)18-11/h3-8,20H,9H2,1-2H3
InChIKeyMERHXBHKVAUGRB-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.32
Rot. Bonds2

About 6-fluoro-2-methyl-5-[(1-methylpyrazol-3-yl)methyl]naphthalen-1-ol

6-fluoro-2-methyl-5-[(1-methylpyrazol-3-yl)methyl]naphthalen-1-ol (PubChem CID 159544927) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 6-fluoro-2-methyl-5-[(1-methylpyrazol-3-yl)methyl]naphthalen-1-ol.

Molecular Properties

Compound Name6-fluoro-2-methyl-5-[(1-methylpyrazol-3-yl)methyl]naphthalen-1-ol
PubChem CID159544927
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name6-fluoro-2-methyl-5-[(1-methylpyrazol-3-yl)methyl]naphthalen-1-ol
SMILESCc1ccc2c(Cc3ccn(C)n3)c(F)ccc2c1O
InChIInChI=1S/C16H15FN2O/c1-10-3-4-12-13(16(10)20)5-6-15(17)14(12)9-11-7-8-19(2)18-11/h3-8,20H,9H2,1-2H3
InChIKeyMERHXBHKVAUGRB-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-5-[(1-methylpyrazol-3-yl)methyl]naphthalen-1-ol?
The IUPAC name of 6-fluoro-2-methyl-5-[(1-methylpyrazol-3-yl)methyl]naphthalen-1-ol (CID 159544927) is 6-fluoro-2-methyl-5-[(1-methylpyrazol-3-yl)methyl]naphthalen-1-ol.
What is the SMILES notation for 6-fluoro-2-methyl-5-[(1-methylpyrazol-3-yl)methyl]naphthalen-1-ol?
The canonical SMILES for 6-fluoro-2-methyl-5-[(1-methylpyrazol-3-yl)methyl]naphthalen-1-ol is Cc1ccc2c(Cc3ccn(C)n3)c(F)ccc2c1O.
What is the InChIKey of 6-fluoro-2-methyl-5-[(1-methylpyrazol-3-yl)methyl]naphthalen-1-ol?
The InChIKey is MERHXBHKVAUGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-10-3-4-12-13(16(10)20)5-6-15(17)14(12)9-11-7-8-19(2)18-11/h3-8,20H,9H2,1-2H3.
What are the key properties of 6-fluoro-2-methyl-5-[(1-methylpyrazol-3-yl)methyl]naphthalen-1-ol?
6-fluoro-2-methyl-5-[(1-methylpyrazol-3-yl)methyl]naphthalen-1-ol has a molecular weight of 270.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-5-[(1-methylpyrazol-3-yl)methyl]naphthalen-1-ol is sourced from PubChem (CID 159544927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).