5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

C11H6ClF3N4 — CID 139697479

IUPAC5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C(F)(F)F)nn(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C11H6ClF3N4/c12-6-2-1-3-7(4-6)19-10(17)8(5-16)9(18-19)11(13,14)15/h1-4H,17H2
InChIKeyOEPNADOYWUUMLK-UHFFFAOYSA-N
MW286.64 g/mol
LogP3.00
Rot. Bonds1

About 5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile (PubChem CID 139697479) has the molecular formula C11H6ClF3N4 and a molecular weight of 286.64 g/mol. Its IUPAC name is 5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
PubChem CID139697479
Molecular FormulaC11H6ClF3N4
Molecular Weight286.64 g/mol
Exact Mass286.02
IUPAC Name5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C(F)(F)F)nn(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C11H6ClF3N4/c12-6-2-1-3-7(4-6)19-10(17)8(5-16)9(18-19)11(13,14)15/h1-4H,17H2
InChIKeyOEPNADOYWUUMLK-UHFFFAOYSA-N
XLogP3.00
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.64
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile
CID 102795584
5-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 57364445
5-amino-1-(3-chlorophenyl)-3-(oxolan-2-yl)pyrazole-4-carbonitrile
CID 22310045
5-chloro-4-(chloromethyl)-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole
CID 43156610
5-amino-3-(2-chloro-4-methylphenyl)-1-(3-chlorophenyl)pyrazole-4-carbonitrile
CID 22309881
5-chloro-1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 63790194
3,5-diamino-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 102826149
1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide
CID 116647231
5-chloro-1-(3-chlorophenyl)-3-propan-2-ylpyrazole-4-carbonitrile
CID 63788951
5-amino-1-(3-bromophenyl)-3-(4-chlorophenyl)pyrazole-4-carbonitrile
CID 171397335
1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine
CID 10513268
5-amino-1-(3-bromophenyl)-3-(2,2,2-trifluoroethylamino)pyrazole-4-carbonitrile
CID 102795877

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile (CID 139697479) is 5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile is N#Cc1c(C(F)(F)F)nn(-c2cccc(Cl)c2)c1N.
What is the InChIKey of 5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The InChIKey is OEPNADOYWUUMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N4/c12-6-2-1-3-7(4-6)19-10(17)8(5-16)9(18-19)11(13,14)15/h1-4H,17H2.
What are the key properties of 5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile?
5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile has a molecular weight of 286.64 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 139697479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).