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

C14H22F3N3O — CID 62442751

IUPAC2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCC(Cn2ccc(C(F)(F)F)n2)O1
InChIInChI=1S/C14H22F3N3O/c1-10(2)7-18-8-11-3-4-12(21-11)9-20-6-5-13(19-20)14(15,16)17/h5-6,10-12,18H,3-4,7-9H2,1-2H3
InChIKeyZZVWUDPKZQHOML-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.70
Rot. Bonds6

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

2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine (PubChem CID 62442751) 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-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
PubChem CID62442751
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-1-amine
SMILESCC(C)CNCC1CCC(Cn2ccc(C(F)(F)F)n2)O1
InChIInChI=1S/C14H22F3N3O/c1-10(2)7-18-8-11-3-4-12(21-11)9-20-6-5-13(19-20)14(15,16)17/h5-6,10-12,18H,3-4,7-9H2,1-2H3
InChIKeyZZVWUDPKZQHOML-UHFFFAOYSA-N
XLogP2.70
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine (CID 62442751) is 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine is CC(C)CNCC1CCC(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-1-amine?
The InChIKey is ZZVWUDPKZQHOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-10(2)7-18-8-11-3-4-12(21-11)9-20-6-5-13(19-20)14(15,16)17/h5-6,10-12,18H,3-4,7-9H2,1-2H3.
What are the key properties of 2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 305.34 g/mol, XLogP of 2.70, 6 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-1-amine is sourced from PubChem (CID 62442751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).