1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C10H14ClF4N3O — CID 103475605

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)c1c(Cl)cnn1C
InChIInChI=1S/C10H14ClF4N3O/c1-16-7(8-6(11)3-17-18(8)2)4-19-5-10(14,15)9(12)13/h3,7,9,16H,4-5H2,1-2H3
InChIKeyUYOBZOGROXHFIU-UHFFFAOYSA-N
MW303.69 g/mol
LogP2.25
Rot. Bonds7

About 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 103475605) has the molecular formula C10H14ClF4N3O and a molecular weight of 303.69 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID103475605
Molecular FormulaC10H14ClF4N3O
Molecular Weight303.69 g/mol
Exact Mass303.08
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)c1c(Cl)cnn1C
InChIInChI=1S/C10H14ClF4N3O/c1-16-7(8-6(11)3-17-18(8)2)4-19-5-10(14,15)9(12)13/h3,7,9,16H,4-5H2,1-2H3
InChIKeyUYOBZOGROXHFIU-UHFFFAOYSA-N
XLogP2.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.69
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 103475605) is 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CNC(COCC(F)(F)C(F)F)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is UYOBZOGROXHFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF4N3O/c1-16-7(8-6(11)3-17-18(8)2)4-19-5-10(14,15)9(12)13/h3,7,9,16H,4-5H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 303.69 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 103475605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).