1-(trifluoromethyl)pyrazole

C4H3F3N2 — CID 18981687

IUPAC1-(trifluoromethyl)pyrazole
SMILESFC(F)(F)n1cccn1
InChIInChI=1S/C4H3F3N2/c5-4(6,7)9-3-1-2-8-9/h1-3H
InChIKeyJDCLOWORQIDWQP-UHFFFAOYSA-N
MW136.08 g/mol
LogP1.36
Rot. Bonds

About 1-(trifluoromethyl)pyrazole

1-(trifluoromethyl)pyrazole (PubChem CID 18981687) has the molecular formula C4H3F3N2 and a molecular weight of 136.08 g/mol. Its IUPAC name is 1-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(trifluoromethyl)pyrazole
PubChem CID18981687
Molecular FormulaC4H3F3N2
Molecular Weight136.08 g/mol
Exact Mass136.02
IUPAC Name1-(trifluoromethyl)pyrazole
SMILESFC(F)(F)n1cccn1
InChIInChI=1S/C4H3F3N2/c5-4(6,7)9-3-1-2-8-9/h1-3H
InChIKeyJDCLOWORQIDWQP-UHFFFAOYSA-N
XLogP1.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.08
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(trifluoromethyl)pyrazole (CID 18981687) is 1-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(trifluoromethyl)pyrazole is FC(F)(F)n1cccn1.
What is the InChIKey of 1-(trifluoromethyl)pyrazole?
The InChIKey is JDCLOWORQIDWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2/c5-4(6,7)9-3-1-2-8-9/h1-3H.
What are the key properties of 1-(trifluoromethyl)pyrazole?
1-(trifluoromethyl)pyrazole has a molecular weight of 136.08 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)pyrazole is sourced from PubChem (CID 18981687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).