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

C13H20F3N3O — CID 62442541

IUPACN-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(Cn2ccc(C(F)(F)F)n2)O1
InChIInChI=1S/C13H20F3N3O/c1-9(2)17-7-10-3-4-11(20-10)8-19-6-5-12(18-19)13(14,15)16/h5-6,9-11,17H,3-4,7-8H2,1-2H3
InChIKeyNRROJBSYDOQPPX-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.45
Rot. Bonds5

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

N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine (PubChem CID 62442541) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine
PubChem CID62442541
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC NameN-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(Cn2ccc(C(F)(F)F)n2)O1
InChIInChI=1S/C13H20F3N3O/c1-9(2)17-7-10-3-4-11(20-10)8-19-6-5-12(18-19)13(14,15)16/h5-6,9-11,17H,3-4,7-8H2,1-2H3
InChIKeyNRROJBSYDOQPPX-UHFFFAOYSA-N
XLogP2.45
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine (CID 62442541) is N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine is CC(C)NCC1CCC(Cn2ccc(C(F)(F)F)n2)O1.
What is the InChIKey of N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine?
The InChIKey is NRROJBSYDOQPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-9(2)17-7-10-3-4-11(20-10)8-19-6-5-12(18-19)13(14,15)16/h5-6,9-11,17H,3-4,7-8H2,1-2H3.
What are the key properties of N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine?
N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 291.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62442541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).