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

C9H13ClF3N3O — CID 103216364

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1c(Cl)cnn1C
InChIInChI=1S/C9H13ClF3N3O/c1-14-7(4-17-5-9(11,12)13)8-6(10)3-15-16(8)2/h3,7,14H,4-5H2,1-2H3
InChIKeyGMINFKZSQPPLOV-UHFFFAOYSA-N
MW271.67 g/mol
LogP1.91
Rot. Bonds5

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

1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216364) has the molecular formula C9H13ClF3N3O and a molecular weight of 271.67 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216364
Molecular FormulaC9H13ClF3N3O
Molecular Weight271.67 g/mol
Exact Mass271.07
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1c(Cl)cnn1C
InChIInChI=1S/C9H13ClF3N3O/c1-14-7(4-17-5-9(11,12)13)8-6(10)3-15-16(8)2/h3,7,14H,4-5H2,1-2H3
InChIKeyGMINFKZSQPPLOV-UHFFFAOYSA-N
XLogP1.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216364) is 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is GMINFKZSQPPLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClF3N3O/c1-14-7(4-17-5-9(11,12)13)8-6(10)3-15-16(8)2/h3,7,14H,4-5H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 271.67 g/mol, XLogP of 1.91, 5 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-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).