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

C13H15F3N4 — CID 63908158

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile
SMILESN#CC(Cn1ccc(C(F)(F)F)n1)(NC1CC1)C1CC1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)11-5-6-20(19-11)8-12(7-17,9-1-2-9)18-10-3-4-10/h5-6,9-10,18H,1-4,8H2
InChIKeyKXTSPMJSBSKQOP-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.33
Rot. Bonds5

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

2-cyclopropyl-2-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile (PubChem CID 63908158) has the molecular formula C13H15F3N4 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile
PubChem CID63908158
Molecular FormulaC13H15F3N4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile
SMILESN#CC(Cn1ccc(C(F)(F)F)n1)(NC1CC1)C1CC1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)11-5-6-20(19-11)8-12(7-17,9-1-2-9)18-10-3-4-10/h5-6,9-10,18H,1-4,8H2
InChIKeyKXTSPMJSBSKQOP-UHFFFAOYSA-N
XLogP2.33
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile (CID 63908158) is 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile is N#CC(Cn1ccc(C(F)(F)F)n1)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile?
The InChIKey is KXTSPMJSBSKQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c14-13(15,16)11-5-6-20(19-11)8-12(7-17,9-1-2-9)18-10-3-4-10/h5-6,9-10,18H,1-4,8H2.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile?
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile has a molecular weight of 284.28 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 63908158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).