2-cyclopropyl-2-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile

C12H15F3N4 — CID 63908364

IUPAC2-cyclopropyl-2-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile
SMILESCCNC(C#N)(Cn1ccc(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C12H15F3N4/c1-2-17-11(7-16,9-3-4-9)8-19-6-5-10(18-19)12(13,14)15/h5-6,9,17H,2-4,8H2,1H3
InChIKeyBINYAGMZUXYZLV-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.18
Rot. Bonds5

About 2-cyclopropyl-2-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile

2-cyclopropyl-2-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile (PubChem CID 63908364) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile
PubChem CID63908364
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile
SMILESCCNC(C#N)(Cn1ccc(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C12H15F3N4/c1-2-17-11(7-16,9-3-4-9)8-19-6-5-10(18-19)12(13,14)15/h5-6,9,17H,2-4,8H2,1H3
InChIKeyBINYAGMZUXYZLV-UHFFFAOYSA-N
XLogP2.18
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile (CID 63908364) is 2-cyclopropyl-2-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile is CCNC(C#N)(Cn1ccc(C(F)(F)F)n1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile?
The InChIKey is BINYAGMZUXYZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4/c1-2-17-11(7-16,9-3-4-9)8-19-6-5-10(18-19)12(13,14)15/h5-6,9,17H,2-4,8H2,1H3.
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile?
2-cyclopropyl-2-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile has a molecular weight of 272.27 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 63908364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).