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

C12H22F2N4O2 — CID 107478629

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
SMILESCc1nn(CC(O)CN(CCO)CC(F)F)c(C)c1N
InChIInChI=1S/C12H22F2N4O2/c1-8-12(15)9(2)18(16-8)6-10(20)5-17(3-4-19)7-11(13)14/h10-11,19-20H,3-7,15H2,1-2H3
InChIKeyBOQPTPSDNGGSHT-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.00
Rot. Bonds8

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

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol (PubChem CID 107478629) has the molecular formula C12H22F2N4O2 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
PubChem CID107478629
Molecular FormulaC12H22F2N4O2
Molecular Weight292.33 g/mol
Exact Mass292.17
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
SMILESCc1nn(CC(O)CN(CCO)CC(F)F)c(C)c1N
InChIInChI=1S/C12H22F2N4O2/c1-8-12(15)9(2)18(16-8)6-10(20)5-17(3-4-19)7-11(13)14/h10-11,19-20H,3-7,15H2,1-2H3
InChIKeyBOQPTPSDNGGSHT-UHFFFAOYSA-N
XLogP0.00
TPSA87.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol?
The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol (CID 107478629) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol is Cc1nn(CC(O)CN(CCO)CC(F)F)c(C)c1N.
What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol?
The InChIKey is BOQPTPSDNGGSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N4O2/c1-8-12(15)9(2)18(16-8)6-10(20)5-17(3-4-19)7-11(13)14/h10-11,19-20H,3-7,15H2,1-2H3.
What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol?
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol has a molecular weight of 292.33 g/mol, XLogP of 0.00, 8 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-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol is sourced from PubChem (CID 107478629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).