1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol

C13H23F3N4O — CID 63946862

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCCCN(CC(O)Cn1nc(C)c(N)c1C)CC(F)(F)F
InChIInChI=1S/C13H23F3N4O/c1-4-5-19(8-13(14,15)16)6-11(21)7-20-10(3)12(17)9(2)18-20/h11,21H,4-8,17H2,1-3H3
InChIKeyNKRNOUONHHXSOG-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.72
Rot. Bonds7

About 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol (PubChem CID 63946862) has the molecular formula C13H23F3N4O and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
PubChem CID63946862
Molecular FormulaC13H23F3N4O
Molecular Weight308.35 g/mol
Exact Mass308.18
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCCCN(CC(O)Cn1nc(C)c(N)c1C)CC(F)(F)F
InChIInChI=1S/C13H23F3N4O/c1-4-5-19(8-13(14,15)16)6-11(21)7-20-10(3)12(17)9(2)18-20/h11,21H,4-8,17H2,1-3H3
InChIKeyNKRNOUONHHXSOG-UHFFFAOYSA-N
XLogP1.72
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol (CID 63946862) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol is CCCN(CC(O)Cn1nc(C)c(N)c1C)CC(F)(F)F.
What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The InChIKey is NKRNOUONHHXSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4O/c1-4-5-19(8-13(14,15)16)6-11(21)7-20-10(3)12(17)9(2)18-20/h11,21H,4-8,17H2,1-3H3.
What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol has a molecular weight of 308.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 63946862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).