N-[1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C13H22F3N3O — CID 103215296

IUPACN-[1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)c1ccnn1CCC
InChIInChI=1S/C13H22F3N3O/c1-3-6-17-11(9-20-10-13(14,15)16)12-5-7-18-19(12)8-4-2/h5,7,11,17H,3-4,6,8-10H2,1-2H3
InChIKeyWFDUARBFPMDEMT-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.91
Rot. Bonds9

About N-[1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

N-[1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 103215296) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID103215296
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC NameN-[1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)c1ccnn1CCC
InChIInChI=1S/C13H22F3N3O/c1-3-6-17-11(9-20-10-13(14,15)16)12-5-7-18-19(12)8-4-2/h5,7,11,17H,3-4,6,8-10H2,1-2H3
InChIKeyWFDUARBFPMDEMT-UHFFFAOYSA-N
XLogP2.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 103215296) is N-[1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)F)c1ccnn1CCC.
What is the InChIKey of N-[1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is WFDUARBFPMDEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-3-6-17-11(9-20-10-13(14,15)16)12-5-7-18-19(12)8-4-2/h5,7,11,17H,3-4,6,8-10H2,1-2H3.
What are the key properties of N-[1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
N-[1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 293.33 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 103215296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).