5-amino-1-(2-cyanoethyl)-3-[methyl(3,3,3-trifluoropropyl)amino]pyrazole-4-carbonitrile

C11H13F3N6 — CID 102795729

IUPAC5-amino-1-(2-cyanoethyl)-3-[methyl(3,3,3-trifluoropropyl)amino]pyrazole-4-carbonitrile
SMILESCN(CCC(F)(F)F)c1nn(CCC#N)c(N)c1C#N
InChIInChI=1S/C11H13F3N6/c1-19(6-3-11(12,13)14)10-8(7-16)9(17)20(18-10)5-2-4-15/h2-3,5-6,17H2,1H3
InChIKeyLDIMGICMJAWJHS-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.64
Rot. Bonds5

About 5-amino-1-(2-cyanoethyl)-3-[methyl(3,3,3-trifluoropropyl)amino]pyrazole-4-carbonitrile

5-amino-1-(2-cyanoethyl)-3-[methyl(3,3,3-trifluoropropyl)amino]pyrazole-4-carbonitrile (PubChem CID 102795729) has the molecular formula C11H13F3N6 and a molecular weight of 286.26 g/mol. Its IUPAC name is 5-amino-1-(2-cyanoethyl)-3-[methyl(3,3,3-trifluoropropyl)amino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2-cyanoethyl)-3-[methyl(3,3,3-trifluoropropyl)amino]pyrazole-4-carbonitrile
PubChem CID102795729
Molecular FormulaC11H13F3N6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name5-amino-1-(2-cyanoethyl)-3-[methyl(3,3,3-trifluoropropyl)amino]pyrazole-4-carbonitrile
SMILESCN(CCC(F)(F)F)c1nn(CCC#N)c(N)c1C#N
InChIInChI=1S/C11H13F3N6/c1-19(6-3-11(12,13)14)10-8(7-16)9(17)20(18-10)5-2-4-15/h2-3,5-6,17H2,1H3
InChIKeyLDIMGICMJAWJHS-UHFFFAOYSA-N
XLogP1.64
TPSA94.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-butan-2-yl-3-[methyl(3,3,3-trifluoropropyl)amino]pyrazole-4-carbonitrile
CID 102796156
5-amino-3-[ethyl(methyl)amino]-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
CID 102796667
5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile
CID 102795727
3-[5-amino-3-[ethyl(methyl)amino]-4-methylsulfonylpyrazol-1-yl]propanenitrile
CID 102825706
ethyl 2-[5-amino-4-cyano-3-(dimethylamino)pyrazol-1-yl]acetate
CID 102809087
1-ethyl-5-N,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 66012482
5-amino-1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethylamino)pyrazole-4-carbonitrile
CID 102796662
5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile
CID 115487744
6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile
CID 61397772
5-amino-1-[2-(dimethylamino)ethyl]-3-(4-methylpiperidin-1-yl)pyrazole-4-carbonitrile
CID 102796348
5-amino-3-tert-butyl-1-(2-methoxyethyl)pyrazole-4-carbonitrile
CID 100763823
5-amino-1-tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
CID 102795650

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-cyanoethyl)-3-[methyl(3,3,3-trifluoropropyl)amino]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2-cyanoethyl)-3-[methyl(3,3,3-trifluoropropyl)amino]pyrazole-4-carbonitrile (CID 102795729) is 5-amino-1-(2-cyanoethyl)-3-[methyl(3,3,3-trifluoropropyl)amino]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2-cyanoethyl)-3-[methyl(3,3,3-trifluoropropyl)amino]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2-cyanoethyl)-3-[methyl(3,3,3-trifluoropropyl)amino]pyrazole-4-carbonitrile is CN(CCC(F)(F)F)c1nn(CCC#N)c(N)c1C#N.
What is the InChIKey of 5-amino-1-(2-cyanoethyl)-3-[methyl(3,3,3-trifluoropropyl)amino]pyrazole-4-carbonitrile?
The InChIKey is LDIMGICMJAWJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6/c1-19(6-3-11(12,13)14)10-8(7-16)9(17)20(18-10)5-2-4-15/h2-3,5-6,17H2,1H3.
What are the key properties of 5-amino-1-(2-cyanoethyl)-3-[methyl(3,3,3-trifluoropropyl)amino]pyrazole-4-carbonitrile?
5-amino-1-(2-cyanoethyl)-3-[methyl(3,3,3-trifluoropropyl)amino]pyrazole-4-carbonitrile has a molecular weight of 286.26 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-cyanoethyl)-3-[methyl(3,3,3-trifluoropropyl)amino]pyrazole-4-carbonitrile is sourced from PubChem (CID 102795729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).