5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile

C16H10F2N4 — CID 22309822

IUPAC5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(-c2cccc(F)c2)nn(-c2ccc(F)cc2)c1N
InChIInChI=1S/C16H10F2N4/c17-11-4-6-13(7-5-11)22-16(20)14(9-19)15(21-22)10-2-1-3-12(18)8-10/h1-8H,20H2
InChIKeyGNGMYJFRZPRXOT-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.27
Rot. Bonds2

About 5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile

5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile (PubChem CID 22309822) has the molecular formula C16H10F2N4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile
PubChem CID22309822
Molecular FormulaC16H10F2N4
Molecular Weight296.28 g/mol
Exact Mass296.09
IUPAC Name5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(-c2cccc(F)c2)nn(-c2ccc(F)cc2)c1N
InChIInChI=1S/C16H10F2N4/c17-11-4-6-13(7-5-11)22-16(20)14(9-19)15(21-22)10-2-1-3-12(18)8-10/h1-8H,20H2
InChIKeyGNGMYJFRZPRXOT-UHFFFAOYSA-N
XLogP3.27
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
CID 22309810
5-amino-3-(4-bromophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 129248129
5-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 22309951
5-amino-3-(2,4-difluorophenyl)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 22310011
3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 102826149
5-amino-3-(cyanomethyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile
CID 2444887
5-amino-3-(2-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
CID 22309777
5-amino-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonitrile
CID 132547191
5-amino-3-(4-bromophenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile
CID 129248073
5-amino-1-(4-fluorophenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795536
5-amino-1-(3-bromophenyl)-3-(4-chlorophenyl)pyrazole-4-carbonitrile
CID 171397335
5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 102796273

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile (CID 22309822) is 5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile is N#Cc1c(-c2cccc(F)c2)nn(-c2ccc(F)cc2)c1N.
What is the InChIKey of 5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile?
The InChIKey is GNGMYJFRZPRXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4/c17-11-4-6-13(7-5-11)22-16(20)14(9-19)15(21-22)10-2-1-3-12(18)8-10/h1-8H,20H2.
What are the key properties of 5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile?
5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile has a molecular weight of 296.28 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 22309822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).