6-[1-(difluoromethyl)pyrazol-4-yl]naphthalen-2-ol

C14H10F2N2O — CID 167766852

IUPAC6-[1-(difluoromethyl)pyrazol-4-yl]naphthalen-2-ol
SMILESOc1ccc2cc(-c3cnn(C(F)F)c3)ccc2c1
InChIInChI=1S/C14H10F2N2O/c15-14(16)18-8-12(7-17-18)10-1-2-11-6-13(19)4-3-9(11)5-10/h1-8,14,19H
InChIKeyKEFAAOAEOSUYBX-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.80
Rot. Bonds2

About 6-[1-(difluoromethyl)pyrazol-4-yl]naphthalen-2-ol

6-[1-(difluoromethyl)pyrazol-4-yl]naphthalen-2-ol (PubChem CID 167766852) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is 6-[1-(difluoromethyl)pyrazol-4-yl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[1-(difluoromethyl)pyrazol-4-yl]naphthalen-2-ol
PubChem CID167766852
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name6-[1-(difluoromethyl)pyrazol-4-yl]naphthalen-2-ol
SMILESOc1ccc2cc(-c3cnn(C(F)F)c3)ccc2c1
InChIInChI=1S/C14H10F2N2O/c15-14(16)18-8-12(7-17-18)10-1-2-11-6-13(19)4-3-9(11)5-10/h1-8,14,19H
InChIKeyKEFAAOAEOSUYBX-UHFFFAOYSA-N
XLogP3.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(difluoromethyl)pyrazol-4-yl]naphthalen-2-ol?
The IUPAC name of 6-[1-(difluoromethyl)pyrazol-4-yl]naphthalen-2-ol (CID 167766852) is 6-[1-(difluoromethyl)pyrazol-4-yl]naphthalen-2-ol.
What is the SMILES notation for 6-[1-(difluoromethyl)pyrazol-4-yl]naphthalen-2-ol?
The canonical SMILES for 6-[1-(difluoromethyl)pyrazol-4-yl]naphthalen-2-ol is Oc1ccc2cc(-c3cnn(C(F)F)c3)ccc2c1.
What is the InChIKey of 6-[1-(difluoromethyl)pyrazol-4-yl]naphthalen-2-ol?
The InChIKey is KEFAAOAEOSUYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O/c15-14(16)18-8-12(7-17-18)10-1-2-11-6-13(19)4-3-9(11)5-10/h1-8,14,19H.
What are the key properties of 6-[1-(difluoromethyl)pyrazol-4-yl]naphthalen-2-ol?
6-[1-(difluoromethyl)pyrazol-4-yl]naphthalen-2-ol has a molecular weight of 260.24 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(difluoromethyl)pyrazol-4-yl]naphthalen-2-ol is sourced from PubChem (CID 167766852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).