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

C12H8F4N4 — CID 100765048

IUPAC5-amino-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C(F)(F)F)nn(Cc2ccc(F)cc2)c1N
InChIInChI=1S/C12H8F4N4/c13-8-3-1-7(2-4-8)6-20-11(18)9(5-17)10(19-20)12(14,15)16/h1-4H,6,18H2
InChIKeyFOIFEEQFORSHQQ-UHFFFAOYSA-N
MW284.22 g/mol
LogP2.54
Rot. Bonds2

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

5-amino-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile (PubChem CID 100765048) has the molecular formula C12H8F4N4 and a molecular weight of 284.22 g/mol. Its IUPAC name is 5-amino-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile
PubChem CID100765048
Molecular FormulaC12H8F4N4
Molecular Weight284.22 g/mol
Exact Mass284.07
IUPAC Name5-amino-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C(F)(F)F)nn(Cc2ccc(F)cc2)c1N
InChIInChI=1S/C12H8F4N4/c13-8-3-1-7(2-4-8)6-20-11(18)9(5-17)10(19-20)12(14,15)16/h1-4H,6,18H2
InChIKeyFOIFEEQFORSHQQ-UHFFFAOYSA-N
XLogP2.54
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-tert-butyl-1-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100764851
5-amino-1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methoxy]pyrazole-4-carbonitrile
CID 100765180
3,5-diamino-1-[(4-bromophenyl)methyl]pyrazole-4-carbonitrile
CID 102826270
5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carbonitrile
CID 63787754
1-[(3-bromophenyl)methyl]-5-chloro-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 63788260
5-amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile
CID 14953228
5-amino-1-[(4-bromophenyl)methyl]-3-cyclopropylpyrazole-4-carbonitrile
CID 100765214
5-amino-1-[(4-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100764522
5-amino-1-[(4-bromophenyl)methyl]-3-(methylamino)pyrazole-4-carbonitrile
CID 102796548
1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587041
5-amino-1-[(3-fluorophenyl)methyl]-3-propan-2-ylpyrazole-4-carbonitrile
CID 100764842
5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 139697479

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile (CID 100765048) is 5-amino-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile is N#Cc1c(C(F)(F)F)nn(Cc2ccc(F)cc2)c1N.
What is the InChIKey of 5-amino-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The InChIKey is FOIFEEQFORSHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N4/c13-8-3-1-7(2-4-8)6-20-11(18)9(5-17)10(19-20)12(14,15)16/h1-4H,6,18H2.
What are the key properties of 5-amino-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile?
5-amino-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile has a molecular weight of 284.22 g/mol, XLogP of 2.54, 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)methyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 100765048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).