3-naphthalen-2-yl-5-(trifluoromethyl)-1H-pyrazole

C14H9F3N2 — CID 716749

IUPAC3-naphthalen-2-yl-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(-c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C14H9F3N2/c15-14(16,17)13-8-12(18-19-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,18,19)
InChIKeyNSTYTVIETLMEHX-UHFFFAOYSA-N
MW262.23 g/mol
LogP4.25
Rot. Bonds1

About 3-naphthalen-2-yl-5-(trifluoromethyl)-1H-pyrazole

3-naphthalen-2-yl-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 716749) has the molecular formula C14H9F3N2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 3-naphthalen-2-yl-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-naphthalen-2-yl-5-(trifluoromethyl)-1H-pyrazole
PubChem CID716749
Molecular FormulaC14H9F3N2
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name3-naphthalen-2-yl-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(-c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C14H9F3N2/c15-14(16,17)13-8-12(18-19-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,18,19)
InChIKeyNSTYTVIETLMEHX-UHFFFAOYSA-N
XLogP4.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-naphthalen-2-yl-5-(trifluoromethyl)-1H-pyrazole (CID 716749) is 3-naphthalen-2-yl-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-naphthalen-2-yl-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-naphthalen-2-yl-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1cc(-c2ccc3ccccc3c2)n[nH]1.
What is the InChIKey of 3-naphthalen-2-yl-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is NSTYTVIETLMEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2/c15-14(16,17)13-8-12(18-19-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,18,19).
What are the key properties of 3-naphthalen-2-yl-5-(trifluoromethyl)-1H-pyrazole?
3-naphthalen-2-yl-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 262.23 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 716749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).