2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine

C14H22F3N3O — CID 62442543

IUPAC2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCC(Cn2ccc(C(F)(F)F)n2)O1
InChIInChI=1S/C14H22F3N3O/c1-13(2,3)18-8-10-4-5-11(21-10)9-20-7-6-12(19-20)14(15,16)17/h6-7,10-11,18H,4-5,8-9H2,1-3H3
InChIKeyTUFQZVUPPCWBKE-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.84
Rot. Bonds4

About 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine (PubChem CID 62442543) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine
PubChem CID62442543
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCC(Cn2ccc(C(F)(F)F)n2)O1
InChIInChI=1S/C14H22F3N3O/c1-13(2,3)18-8-10-4-5-11(21-10)9-20-7-6-12(19-20)14(15,16)17/h6-7,10-11,18H,4-5,8-9H2,1-3H3
InChIKeyTUFQZVUPPCWBKE-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine 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 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine (CID 62442543) is 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine is CC(C)(C)NCC1CCC(Cn2ccc(C(F)(F)F)n2)O1.
What is the InChIKey of 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine?
The InChIKey is TUFQZVUPPCWBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-13(2,3)18-8-10-4-5-11(21-10)9-20-7-6-12(19-20)14(15,16)17/h6-7,10-11,18H,4-5,8-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 305.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62442543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).