N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C11H18F3N3O — CID 103215294

IUPACN-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCCn1nccc1C(COCC(F)(F)F)NC
InChIInChI=1S/C11H18F3N3O/c1-3-6-17-10(4-5-16-17)9(15-2)7-18-8-11(12,13)14/h4-5,9,15H,3,6-8H2,1-2H3
InChIKeyJMXTULFLJFHKII-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.13
Rot. Bonds7

About N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215294) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215294
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC NameN-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCCn1nccc1C(COCC(F)(F)F)NC
InChIInChI=1S/C11H18F3N3O/c1-3-6-17-10(4-5-16-17)9(15-2)7-18-8-11(12,13)14/h4-5,9,15H,3,6-8H2,1-2H3
InChIKeyJMXTULFLJFHKII-UHFFFAOYSA-N
XLogP2.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475633
[1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151691
2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 65128079
N-methyl-1-(2-propylpyrazol-3-yl)-2-pyridin-4-ylethanamine
CID 63974700
N-methyl-3-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975742
N-methyl-1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215703
N-methyl-1-(2-propylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 105148151
N-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86991460
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475278
(1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 104941104
1-(1-ethylimidazol-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215345
2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol
CID 63977421

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215294) is N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CCCn1nccc1C(COCC(F)(F)F)NC.
What is the InChIKey of N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is JMXTULFLJFHKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-3-6-17-10(4-5-16-17)9(15-2)7-18-8-11(12,13)14/h4-5,9,15H,3,6-8H2,1-2H3.
What are the key properties of N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 265.28 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).