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

C13H20F3N3O — CID 64808994

IUPAC2-cyclopropyl-2-(propan-2-ylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESCC(C)NC(CO)(Cn1cc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C13H20F3N3O/c1-9(2)18-12(8-20,10-3-4-10)7-19-6-11(5-17-19)13(14,15)16/h5-6,9-10,18,20H,3-4,7-8H2,1-2H3
InChIKeyBWSCTOXCOMKNKG-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.04
Rot. Bonds6

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

2-cyclopropyl-2-(propan-2-ylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (PubChem CID 64808994) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-(propan-2-ylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(propan-2-ylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
PubChem CID64808994
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name2-cyclopropyl-2-(propan-2-ylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESCC(C)NC(CO)(Cn1cc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C13H20F3N3O/c1-9(2)18-12(8-20,10-3-4-10)7-19-6-11(5-17-19)13(14,15)16/h5-6,9-10,18,20H,3-4,7-8H2,1-2H3
InChIKeyBWSCTOXCOMKNKG-UHFFFAOYSA-N
XLogP2.04
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(propan-2-ylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(propan-2-ylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (CID 64808994) is 2-cyclopropyl-2-(propan-2-ylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(propan-2-ylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(propan-2-ylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is CC(C)NC(CO)(Cn1cc(C(F)(F)F)cn1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(propan-2-ylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The InChIKey is BWSCTOXCOMKNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-9(2)18-12(8-20,10-3-4-10)7-19-6-11(5-17-19)13(14,15)16/h5-6,9-10,18,20H,3-4,7-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(propan-2-ylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
2-cyclopropyl-2-(propan-2-ylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol has a molecular weight of 291.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(propan-2-ylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 64808994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).