2-cyclopropyl-2-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol

C13H18F3N3O — CID 64808995

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESOCC(Cn1cc(C(F)(F)F)cn1)(NC1CC1)C1CC1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)10-5-17-19(6-10)7-12(8-20,9-1-2-9)18-11-3-4-11/h5-6,9,11,18,20H,1-4,7-8H2
InChIKeySKERJWFVKOABKX-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.79
Rot. Bonds6

About 2-cyclopropyl-2-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol

2-cyclopropyl-2-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (PubChem CID 64808995) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
PubChem CID64808995
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESOCC(Cn1cc(C(F)(F)F)cn1)(NC1CC1)C1CC1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)10-5-17-19(6-10)7-12(8-20,9-1-2-9)18-11-3-4-11/h5-6,9,11,18,20H,1-4,7-8H2
InChIKeySKERJWFVKOABKX-UHFFFAOYSA-N
XLogP1.79
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (CID 64808995) is 2-cyclopropyl-2-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is OCC(Cn1cc(C(F)(F)F)cn1)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The InChIKey is SKERJWFVKOABKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c14-13(15,16)10-5-17-19(6-10)7-12(8-20,9-1-2-9)18-11-3-4-11/h5-6,9,11,18,20H,1-4,7-8H2.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
2-cyclopropyl-2-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol has a molecular weight of 289.30 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 64808995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).