5-amino-1-(1-cyclopropylethyl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile

C12H16F3N5 — CID 102796212

IUPAC5-amino-1-(1-cyclopropylethyl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
SMILESCC(C1CC1)n1nc(NCCC(F)(F)F)c(C#N)c1N
InChIInChI=1S/C12H16F3N5/c1-7(8-2-3-8)20-10(17)9(6-16)11(19-20)18-5-4-12(13,14)15/h7-8H,2-5,17H2,1H3,(H,18,19)
InChIKeyYFPGFPDHVIJVHZ-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.67
Rot. Bonds5

About 5-amino-1-(1-cyclopropylethyl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile

5-amino-1-(1-cyclopropylethyl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile (PubChem CID 102796212) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-amino-1-(1-cyclopropylethyl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(1-cyclopropylethyl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
PubChem CID102796212
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC Name5-amino-1-(1-cyclopropylethyl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
SMILESCC(C1CC1)n1nc(NCCC(F)(F)F)c(C#N)c1N
InChIInChI=1S/C12H16F3N5/c1-7(8-2-3-8)20-10(17)9(6-16)11(19-20)18-5-4-12(13,14)15/h7-8H,2-5,17H2,1H3,(H,18,19)
InChIKeyYFPGFPDHVIJVHZ-UHFFFAOYSA-N
XLogP2.67
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-butan-2-yl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
CID 102796157
5-amino-1-tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
CID 102795650
5-amino-1-pentan-3-yl-3-(propylamino)pyrazole-4-carbonitrile
CID 102796194
tert-butyl N-[2-[(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)amino]ethyl]carbamate
CID 102795954
5-amino-1-(1,3-thiazol-2-yl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
CID 102796825
5-amino-1-(1-cyclopropylethyl)-3-(1,4-diazepan-1-yl)pyrazole-4-carbonitrile
CID 102796207
5-amino-3-(1-cyclopropylethylamino)-1-methylpyrazole-4-carbonitrile
CID 102795442
5-amino-1-butan-2-yl-3-[methyl(3,3,3-trifluoropropyl)amino]pyrazole-4-carbonitrile
CID 102796156
5-amino-1-tert-butyl-3-(ethylamino)pyrazole-4-carbonitrile
CID 102795655
4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile
CID 63226839
5-chloro-1-(1-cyclopropylethyl)-3-methylpyrazole-4-carbonitrile
CID 63788797
5-amino-3-(azetidin-3-ylamino)-1-tert-butylpyrazole-4-carbonitrile
CID 102795652

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1-cyclopropylethyl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(1-cyclopropylethyl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile (CID 102796212) is 5-amino-1-(1-cyclopropylethyl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(1-cyclopropylethyl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(1-cyclopropylethyl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile is CC(C1CC1)n1nc(NCCC(F)(F)F)c(C#N)c1N.
What is the InChIKey of 5-amino-1-(1-cyclopropylethyl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile?
The InChIKey is YFPGFPDHVIJVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c1-7(8-2-3-8)20-10(17)9(6-16)11(19-20)18-5-4-12(13,14)15/h7-8H,2-5,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-1-(1-cyclopropylethyl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile?
5-amino-1-(1-cyclopropylethyl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile has a molecular weight of 287.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1-cyclopropylethyl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 102796212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).