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

C11H19F3N4O — CID 63945059

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCc1nn(CC(O)CN(C)CC(F)(F)F)c(C)c1N
InChIInChI=1S/C11H19F3N4O/c1-7-10(15)8(2)18(16-7)5-9(19)4-17(3)6-11(12,13)14/h9,19H,4-6,15H2,1-3H3
InChIKeyPWXUUHOSELMCMG-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.94
Rot. Bonds5

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

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol (PubChem CID 63945059) has the molecular formula C11H19F3N4O and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
PubChem CID63945059
Molecular FormulaC11H19F3N4O
Molecular Weight280.29 g/mol
Exact Mass280.15
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCc1nn(CC(O)CN(C)CC(F)(F)F)c(C)c1N
InChIInChI=1S/C11H19F3N4O/c1-7-10(15)8(2)18(16-7)5-9(19)4-17(3)6-11(12,13)14/h9,19H,4-6,15H2,1-3H3
InChIKeyPWXUUHOSELMCMG-UHFFFAOYSA-N
XLogP0.94
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.94
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-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol (CID 63945059) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol is Cc1nn(CC(O)CN(C)CC(F)(F)F)c(C)c1N.
What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The InChIKey is PWXUUHOSELMCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O/c1-7-10(15)8(2)18(16-7)5-9(19)4-17(3)6-11(12,13)14/h9,19H,4-6,15H2,1-3H3.
What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol has a molecular weight of 280.29 g/mol, XLogP of 0.94, 5 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-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 63945059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).