1-(4-aminopyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol

C11H19F3N4O — CID 55006749

IUPAC1-(4-aminopyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCC(C)N(CC(O)Cn1cc(N)cn1)CC(F)(F)F
InChIInChI=1S/C11H19F3N4O/c1-8(2)17(7-11(12,13)14)5-10(19)6-18-4-9(15)3-16-18/h3-4,8,10,19H,5-7,15H2,1-2H3
InChIKeyVWALZAJJTCUWBW-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.10
Rot. Bonds6

About 1-(4-aminopyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol

1-(4-aminopyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol (PubChem CID 55006749) has the molecular formula C11H19F3N4O and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
PubChem CID55006749
Molecular FormulaC11H19F3N4O
Molecular Weight280.29 g/mol
Exact Mass280.15
IUPAC Name1-(4-aminopyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCC(C)N(CC(O)Cn1cc(N)cn1)CC(F)(F)F
InChIInChI=1S/C11H19F3N4O/c1-8(2)17(7-11(12,13)14)5-10(19)6-18-4-9(15)3-16-18/h3-4,8,10,19H,5-7,15H2,1-2H3
InChIKeyVWALZAJJTCUWBW-UHFFFAOYSA-N
XLogP1.10
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol (CID 55006749) is 1-(4-aminopyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol is CC(C)N(CC(O)Cn1cc(N)cn1)CC(F)(F)F.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The InChIKey is VWALZAJJTCUWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O/c1-8(2)17(7-11(12,13)14)5-10(19)6-18-4-9(15)3-16-18/h3-4,8,10,19H,5-7,15H2,1-2H3.
What are the key properties of 1-(4-aminopyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
1-(4-aminopyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol has a molecular weight of 280.29 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 55006749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).