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

C13H20F3N3O — CID 64808993

IUPAC2-cyclopropyl-2-(propylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESCCCNC(CO)(Cn1cc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C13H20F3N3O/c1-2-5-17-12(9-20,10-3-4-10)8-19-7-11(6-18-19)13(14,15)16/h6-7,10,17,20H,2-5,8-9H2,1H3
InChIKeyWLBGTSIFDYEFPS-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.04
Rot. Bonds7

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

2-cyclopropyl-2-(propylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (PubChem CID 64808993) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-(propylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(propylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
PubChem CID64808993
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name2-cyclopropyl-2-(propylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESCCCNC(CO)(Cn1cc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C13H20F3N3O/c1-2-5-17-12(9-20,10-3-4-10)8-19-7-11(6-18-19)13(14,15)16/h6-7,10,17,20H,2-5,8-9H2,1H3
InChIKeyWLBGTSIFDYEFPS-UHFFFAOYSA-N
XLogP2.04
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-(propylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(propylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(propylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (CID 64808993) is 2-cyclopropyl-2-(propylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(propylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(propylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is CCCNC(CO)(Cn1cc(C(F)(F)F)cn1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(propylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The InChIKey is WLBGTSIFDYEFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-2-5-17-12(9-20,10-3-4-10)8-19-7-11(6-18-19)13(14,15)16/h6-7,10,17,20H,2-5,8-9H2,1H3.
What are the key properties of 2-cyclopropyl-2-(propylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
2-cyclopropyl-2-(propylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol has a molecular weight of 291.32 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(propylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 64808993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).