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

C10H17F3N4O2 — CID 107478822

IUPAC1-(4-aminopyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESNc1cnn(CC(O)CN(CCO)CC(F)(F)F)c1
InChIInChI=1S/C10H17F3N4O2/c11-10(12,13)7-16(1-2-18)5-9(19)6-17-4-8(14)3-15-17/h3-4,9,18-19H,1-2,5-7,14H2
InChIKeyYZSOXUOYEIACRI-UHFFFAOYSA-N
MW282.27 g/mol
LogP-0.32
Rot. Bonds7

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

1-(4-aminopyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol (PubChem CID 107478822) has the molecular formula C10H17F3N4O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
PubChem CID107478822
Molecular FormulaC10H17F3N4O2
Molecular Weight282.27 g/mol
Exact Mass282.13
IUPAC Name1-(4-aminopyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESNc1cnn(CC(O)CN(CCO)CC(F)(F)F)c1
InChIInChI=1S/C10H17F3N4O2/c11-10(12,13)7-16(1-2-18)5-9(19)6-17-4-8(14)3-15-17/h3-4,9,18-19H,1-2,5-7,14H2
InChIKeyYZSOXUOYEIACRI-UHFFFAOYSA-N
XLogP-0.32
TPSA87.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol (CID 107478822) is 1-(4-aminopyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol is Nc1cnn(CC(O)CN(CCO)CC(F)(F)F)c1.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The InChIKey is YZSOXUOYEIACRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O2/c11-10(12,13)7-16(1-2-18)5-9(19)6-17-4-8(14)3-15-17/h3-4,9,18-19H,1-2,5-7,14H2.
What are the key properties of 1-(4-aminopyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
1-(4-aminopyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol has a molecular weight of 282.27 g/mol, XLogP of -0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 107478822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).