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

C9H15F3N4O — CID 60893084

IUPAC1-(4-aminopyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCN(CC(O)Cn1cc(N)cn1)CC(F)(F)F
InChIInChI=1S/C9H15F3N4O/c1-15(6-9(10,11)12)4-8(17)5-16-3-7(13)2-14-16/h2-3,8,17H,4-6,13H2,1H3
InChIKeyZEOANMBDTQFILG-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.32
Rot. Bonds5

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

1-(4-aminopyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol (PubChem CID 60893084) has the molecular formula C9H15F3N4O and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
PubChem CID60893084
Molecular FormulaC9H15F3N4O
Molecular Weight252.24 g/mol
Exact Mass252.12
IUPAC Name1-(4-aminopyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCN(CC(O)Cn1cc(N)cn1)CC(F)(F)F
InChIInChI=1S/C9H15F3N4O/c1-15(6-9(10,11)12)4-8(17)5-16-3-7(13)2-14-16/h2-3,8,17H,4-6,13H2,1H3
InChIKeyZEOANMBDTQFILG-UHFFFAOYSA-N
XLogP0.32
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.32
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-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol (CID 60893084) is 1-(4-aminopyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol is CN(CC(O)Cn1cc(N)cn1)CC(F)(F)F.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The InChIKey is ZEOANMBDTQFILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O/c1-15(6-9(10,11)12)4-8(17)5-16-3-7(13)2-14-16/h2-3,8,17H,4-6,13H2,1H3.
What are the key properties of 1-(4-aminopyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
1-(4-aminopyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol has a molecular weight of 252.24 g/mol, XLogP of 0.32, 5 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-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 60893084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).