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

C11H13F3N4 — CID 63908568

IUPAC2-cyclopropyl-2-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile
SMILESCNC(C#N)(Cn1ccc(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C11H13F3N4/c1-16-10(6-15,8-2-3-8)7-18-5-4-9(17-18)11(12,13)14/h4-5,8,16H,2-3,7H2,1H3
InChIKeyAEHCUZFLNKCYHH-UHFFFAOYSA-N
MW258.25 g/mol
LogP1.79
Rot. Bonds4

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

2-cyclopropyl-2-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile (PubChem CID 63908568) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile
PubChem CID63908568
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name2-cyclopropyl-2-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile
SMILESCNC(C#N)(Cn1ccc(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C11H13F3N4/c1-16-10(6-15,8-2-3-8)7-18-5-4-9(17-18)11(12,13)14/h4-5,8,16H,2-3,7H2,1H3
InChIKeyAEHCUZFLNKCYHH-UHFFFAOYSA-N
XLogP1.79
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile (CID 63908568) is 2-cyclopropyl-2-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile is CNC(C#N)(Cn1ccc(C(F)(F)F)n1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile?
The InChIKey is AEHCUZFLNKCYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c1-16-10(6-15,8-2-3-8)7-18-5-4-9(17-18)11(12,13)14/h4-5,8,16H,2-3,7H2,1H3.
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile?
2-cyclopropyl-2-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile has a molecular weight of 258.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 63908568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).