2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]oxolan-3-amine

C14H22F3N3O — CID 75495488

IUPAC2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]oxolan-3-amine
SMILESCC1(C)CC(NCc2cnn(CC(F)(F)F)c2)C(C)(C)O1
InChIInChI=1S/C14H22F3N3O/c1-12(2)5-11(13(3,4)21-12)18-6-10-7-19-20(8-10)9-14(15,16)17/h7-8,11,18H,5-6,9H2,1-4H3
InChIKeyIASFLUPREGERIY-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.88
Rot. Bonds4

About 2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]oxolan-3-amine

2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]oxolan-3-amine (PubChem CID 75495488) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]oxolan-3-amine
PubChem CID75495488
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]oxolan-3-amine
SMILESCC1(C)CC(NCc2cnn(CC(F)(F)F)c2)C(C)(C)O1
InChIInChI=1S/C14H22F3N3O/c1-12(2)5-11(13(3,4)21-12)18-6-10-7-19-20(8-10)9-14(15,16)17/h7-8,11,18H,5-6,9H2,1-4H3
InChIKeyIASFLUPREGERIY-UHFFFAOYSA-N
XLogP2.88
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]oxolan-3-amine (CID 75495488) is 2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]oxolan-3-amine is CC1(C)CC(NCc2cnn(CC(F)(F)F)c2)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]oxolan-3-amine?
The InChIKey is IASFLUPREGERIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-12(2)5-11(13(3,4)21-12)18-6-10-7-19-20(8-10)9-14(15,16)17/h7-8,11,18H,5-6,9H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]oxolan-3-amine?
2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]oxolan-3-amine has a molecular weight of 305.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 75495488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).