4-benzyl-5-(trifluoromethyl)-1H-pyrazole

C11H9F3N2 — CID 121219370

IUPAC4-benzyl-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]ncc1Cc1ccccc1
InChIInChI=1S/C11H9F3N2/c12-11(13,14)10-9(7-15-16-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,16)
InChIKeyPRRUUIGTVDOUTE-UHFFFAOYSA-N
MW226.20 g/mol
LogP3.02
Rot. Bonds2

About 4-benzyl-5-(trifluoromethyl)-1H-pyrazole

4-benzyl-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 121219370) has the molecular formula C11H9F3N2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 4-benzyl-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-benzyl-5-(trifluoromethyl)-1H-pyrazole
PubChem CID121219370
Molecular FormulaC11H9F3N2
Molecular Weight226.20 g/mol
Exact Mass226.07
IUPAC Name4-benzyl-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]ncc1Cc1ccccc1
InChIInChI=1S/C11H9F3N2/c12-11(13,14)10-9(7-15-16-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,16)
InChIKeyPRRUUIGTVDOUTE-UHFFFAOYSA-N
XLogP3.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-benzyl-5-(trifluoromethyl)-1H-pyrazole (CID 121219370) is 4-benzyl-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-benzyl-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-benzyl-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1[nH]ncc1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is PRRUUIGTVDOUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2/c12-11(13,14)10-9(7-15-16-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,16).
What are the key properties of 4-benzyl-5-(trifluoromethyl)-1H-pyrazole?
4-benzyl-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 226.20 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 121219370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).