1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole

C11H9F3N2 — CID 57253554

IUPAC1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole
SMILESFC(F)(F)c1ccccc1Cn1cccn1
InChIInChI=1S/C11H9F3N2/c12-11(13,14)10-5-2-1-4-9(10)8-16-7-3-6-15-16/h1-7H,8H2
InChIKeyCGNSXMZFNVPNSM-UHFFFAOYSA-N
MW226.20 g/mol
LogP2.95
Rot. Bonds2

About 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole

1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole (PubChem CID 57253554) has the molecular formula C11H9F3N2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole
PubChem CID57253554
Molecular FormulaC11H9F3N2
Molecular Weight226.20 g/mol
Exact Mass226.07
IUPAC Name1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole
SMILESFC(F)(F)c1ccccc1Cn1cccn1
InChIInChI=1S/C11H9F3N2/c12-11(13,14)10-5-2-1-4-9(10)8-16-7-3-6-15-16/h1-7H,8H2
InChIKeyCGNSXMZFNVPNSM-UHFFFAOYSA-N
XLogP2.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole?
The IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole (CID 57253554) is 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole.
What is the SMILES notation for 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole?
The canonical SMILES for 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole is FC(F)(F)c1ccccc1Cn1cccn1.
What is the InChIKey of 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole?
The InChIKey is CGNSXMZFNVPNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2/c12-11(13,14)10-5-2-1-4-9(10)8-16-7-3-6-15-16/h1-7H,8H2.
What are the key properties of 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole?
1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole has a molecular weight of 226.20 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazole is sourced from PubChem (CID 57253554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).