2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]naphthalen-1-ol

C14H9F3N2O — CID 690724

IUPAC2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]naphthalen-1-ol
SMILESOc1c(-c2cc(C(F)(F)F)[nH]n2)ccc2ccccc12
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)12-7-11(18-19-12)10-6-5-8-3-1-2-4-9(8)13(10)20/h1-7,20H,(H,18,19)
InChIKeyUNXDMHYQIYIAMH-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.95
Rot. Bonds1

About 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]naphthalen-1-ol

2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]naphthalen-1-ol (PubChem CID 690724) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]naphthalen-1-ol
PubChem CID690724
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]naphthalen-1-ol
SMILESOc1c(-c2cc(C(F)(F)F)[nH]n2)ccc2ccccc12
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)12-7-11(18-19-12)10-6-5-8-3-1-2-4-9(8)13(10)20/h1-7,20H,(H,18,19)
InChIKeyUNXDMHYQIYIAMH-UHFFFAOYSA-N
XLogP3.95
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]naphthalen-1-ol?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]naphthalen-1-ol (CID 690724) is 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]naphthalen-1-ol.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]naphthalen-1-ol?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]naphthalen-1-ol is Oc1c(-c2cc(C(F)(F)F)[nH]n2)ccc2ccccc12.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]naphthalen-1-ol?
The InChIKey is UNXDMHYQIYIAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-14(16,17)12-7-11(18-19-12)10-6-5-8-3-1-2-4-9(8)13(10)20/h1-7,20H,(H,18,19).
What are the key properties of 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]naphthalen-1-ol?
2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]naphthalen-1-ol has a molecular weight of 278.23 g/mol, XLogP of 3.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]naphthalen-1-ol is sourced from PubChem (CID 690724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).