1,1-difluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol

C11H19F2N3O — CID 103788082

IUPAC1,1-difluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol
SMILESCc1nn(C)c(C)c1C(C)NCC(O)C(F)F
InChIInChI=1S/C11H19F2N3O/c1-6(14-5-9(17)11(12)13)10-7(2)15-16(4)8(10)3/h6,9,11,14,17H,5H2,1-4H3
InChIKeyLZGWSRNMWATDBT-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.31
Rot. Bonds5

About 1,1-difluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol

1,1-difluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol (PubChem CID 103788082) has the molecular formula C11H19F2N3O and a molecular weight of 247.29 g/mol. Its IUPAC name is 1,1-difluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol
PubChem CID103788082
Molecular FormulaC11H19F2N3O
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name1,1-difluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol
SMILESCc1nn(C)c(C)c1C(C)NCC(O)C(F)F
InChIInChI=1S/C11H19F2N3O/c1-6(14-5-9(17)11(12)13)10-7(2)15-16(4)8(10)3/h6,9,11,14,17H,5H2,1-4H3
InChIKeyLZGWSRNMWATDBT-UHFFFAOYSA-N
XLogP1.31
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol (CID 103788082) is 1,1-difluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol is Cc1nn(C)c(C)c1C(C)NCC(O)C(F)F.
What is the InChIKey of 1,1-difluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol?
The InChIKey is LZGWSRNMWATDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O/c1-6(14-5-9(17)11(12)13)10-7(2)15-16(4)8(10)3/h6,9,11,14,17H,5H2,1-4H3.
What are the key properties of 1,1-difluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol?
1,1-difluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol has a molecular weight of 247.29 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 103788082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).