1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile

C11H5F4N3 — CID 82527578

IUPAC1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccccc2F)c1C(F)(F)F
InChIInChI=1S/C11H5F4N3/c12-8-3-1-2-4-9(8)18-10(11(13,14)15)7(5-16)6-17-18/h1-4,6H
InChIKeyAJHSWOCWMAPMAI-UHFFFAOYSA-N
MW255.17 g/mol
LogP2.90
Rot. Bonds1

About 1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile

1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile (PubChem CID 82527578) has the molecular formula C11H5F4N3 and a molecular weight of 255.17 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile
PubChem CID82527578
Molecular FormulaC11H5F4N3
Molecular Weight255.17 g/mol
Exact Mass255.04
IUPAC Name1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccccc2F)c1C(F)(F)F
InChIInChI=1S/C11H5F4N3/c12-8-3-1-2-4-9(8)18-10(11(13,14)15)7(5-16)6-17-18/h1-4,6H
InChIKeyAJHSWOCWMAPMAI-UHFFFAOYSA-N
XLogP2.90
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.17
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile?
The IUPAC name of 1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile (CID 82527578) is 1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile is N#Cc1cnn(-c2ccccc2F)c1C(F)(F)F.
What is the InChIKey of 1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile?
The InChIKey is AJHSWOCWMAPMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F4N3/c12-8-3-1-2-4-9(8)18-10(11(13,14)15)7(5-16)6-17-18/h1-4,6H.
What are the key properties of 1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile?
1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile has a molecular weight of 255.17 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 82527578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).