5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile

C17H10F4N4 — CID 22309951

IUPAC5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccc(C(F)(F)F)cc2)nn(-c2ccc(F)cc2)c1N
InChIInChI=1S/C17H10F4N4/c18-12-5-7-13(8-6-12)25-16(23)14(9-22)15(24-25)10-1-3-11(4-2-10)17(19,20)21/h1-8H,23H2
InChIKeyXYIVVXSAAJJMBO-UHFFFAOYSA-N
MW346.29 g/mol
LogP4.15
Rot. Bonds2

About 5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile

5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile (PubChem CID 22309951) has the molecular formula C17H10F4N4 and a molecular weight of 346.29 g/mol. Its IUPAC name is 5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
PubChem CID22309951
Molecular FormulaC17H10F4N4
Molecular Weight346.29 g/mol
Exact Mass346.08
IUPAC Name5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccc(C(F)(F)F)cc2)nn(-c2ccc(F)cc2)c1N
InChIInChI=1S/C17H10F4N4/c18-12-5-7-13(8-6-12)25-16(23)14(9-22)15(24-25)10-1-3-11(4-2-10)17(19,20)21/h1-8H,23H2
InChIKeyXYIVVXSAAJJMBO-UHFFFAOYSA-N
XLogP4.15
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile (CID 22309951) is 5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile is N#Cc1c(-c2ccc(C(F)(F)F)cc2)nn(-c2ccc(F)cc2)c1N.
What is the InChIKey of 5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile?
The InChIKey is XYIVVXSAAJJMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N4/c18-12-5-7-13(8-6-12)25-16(23)14(9-22)15(24-25)10-1-3-11(4-2-10)17(19,20)21/h1-8H,23H2.
What are the key properties of 5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile?
5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile has a molecular weight of 346.29 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 22309951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).