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

C12H21F3N4O2 — CID 107478796

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCc1nn(CC(O)CN(CCO)CC(F)(F)F)c(C)c1N
InChIInChI=1S/C12H21F3N4O2/c1-8-11(16)9(2)19(17-8)6-10(21)5-18(3-4-20)7-12(13,14)15/h10,20-21H,3-7,16H2,1-2H3
InChIKeyXDSSPHUPGNYOLB-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.30
Rot. Bonds7

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

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol (PubChem CID 107478796) has the molecular formula C12H21F3N4O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
PubChem CID107478796
Molecular FormulaC12H21F3N4O2
Molecular Weight310.32 g/mol
Exact Mass310.16
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCc1nn(CC(O)CN(CCO)CC(F)(F)F)c(C)c1N
InChIInChI=1S/C12H21F3N4O2/c1-8-11(16)9(2)19(17-8)6-10(21)5-18(3-4-20)7-12(13,14)15/h10,20-21H,3-7,16H2,1-2H3
InChIKeyXDSSPHUPGNYOLB-UHFFFAOYSA-N
XLogP0.30
TPSA87.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol (CID 107478796) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol is Cc1nn(CC(O)CN(CCO)CC(F)(F)F)c(C)c1N.
What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The InChIKey is XDSSPHUPGNYOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4O2/c1-8-11(16)9(2)19(17-8)6-10(21)5-18(3-4-20)7-12(13,14)15/h10,20-21H,3-7,16H2,1-2H3.
What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol has a molecular weight of 310.32 g/mol, XLogP of 0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 107478796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).