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

C11H18F3N3O — CID 64811138

IUPAC2-methyl-2-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESCC(C)NC(C)(CO)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H18F3N3O/c1-8(2)15-10(3,7-18)6-17-5-4-9(16-17)11(12,13)14/h4-5,8,15,18H,6-7H2,1-3H3
InChIKeyNKHLPIXBTDSHSH-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.65
Rot. Bonds5

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

2-methyl-2-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (PubChem CID 64811138) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
PubChem CID64811138
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name2-methyl-2-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
SMILESCC(C)NC(C)(CO)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H18F3N3O/c1-8(2)15-10(3,7-18)6-17-5-4-9(16-17)11(12,13)14/h4-5,8,15,18H,6-7H2,1-3H3
InChIKeyNKHLPIXBTDSHSH-UHFFFAOYSA-N
XLogP1.65
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol (CID 64811138) is 2-methyl-2-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is CC(C)NC(C)(CO)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
The InChIKey is NKHLPIXBTDSHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-8(2)15-10(3,7-18)6-17-5-4-9(16-17)11(12,13)14/h4-5,8,15,18H,6-7H2,1-3H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol?
2-methyl-2-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol has a molecular weight of 265.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 64811138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).