3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol

C12H20F3N3O — CID 103778708

IUPAC3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESCCn1nc(C)c(C(C)NCC(O)C(F)(F)F)c1C
InChIInChI=1S/C12H20F3N3O/c1-5-18-9(4)11(8(3)17-18)7(2)16-6-10(19)12(13,14)15/h7,10,16,19H,5-6H2,1-4H3
InChIKeyNZTUGXPQQUTEAU-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.09
Rot. Bonds5

About 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol

3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103778708) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID103778708
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC Name3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESCCn1nc(C)c(C(C)NCC(O)C(F)(F)F)c1C
InChIInChI=1S/C12H20F3N3O/c1-5-18-9(4)11(8(3)17-18)7(2)16-6-10(19)12(13,14)15/h7,10,16,19H,5-6H2,1-4H3
InChIKeyNZTUGXPQQUTEAU-UHFFFAOYSA-N
XLogP2.09
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol (CID 103778708) is 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol is CCn1nc(C)c(C(C)NCC(O)C(F)(F)F)c1C.
What is the InChIKey of 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is NZTUGXPQQUTEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c1-5-18-9(4)11(8(3)17-18)7(2)16-6-10(19)12(13,14)15/h7,10,16,19H,5-6H2,1-4H3.
What are the key properties of 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 279.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103778708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).