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

C13H23F3N4O — CID 63946863

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCc1nn(CC(O)CN(CC(F)(F)F)C(C)C)c(C)c1N
InChIInChI=1S/C13H23F3N4O/c1-8(2)19(7-13(14,15)16)5-11(21)6-20-10(4)12(17)9(3)18-20/h8,11,21H,5-7,17H2,1-4H3
InChIKeySBZZWHQHIOQEFG-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.72
Rot. Bonds6

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

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol (PubChem CID 63946863) 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-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
PubChem CID63946863
Molecular FormulaC13H23F3N4O
Molecular Weight308.35 g/mol
Exact Mass308.18
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCc1nn(CC(O)CN(CC(F)(F)F)C(C)C)c(C)c1N
InChIInChI=1S/C13H23F3N4O/c1-8(2)19(7-13(14,15)16)5-11(21)6-20-10(4)12(17)9(3)18-20/h8,11,21H,5-7,17H2,1-4H3
InChIKeySBZZWHQHIOQEFG-UHFFFAOYSA-N
XLogP1.72
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol (CID 63946863) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol is Cc1nn(CC(O)CN(CC(F)(F)F)C(C)C)c(C)c1N.
What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The InChIKey is SBZZWHQHIOQEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4O/c1-8(2)19(7-13(14,15)16)5-11(21)6-20-10(4)12(17)9(3)18-20/h8,11,21H,5-7,17H2,1-4H3.
What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol has a molecular weight of 308.35 g/mol, XLogP of 1.72, 6 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-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 63946863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).