1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,2,2-trifluoroethoxy)ethanamine

C10H15ClF3N3O2 — CID 103216491

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOCCn1ncc(Cl)c1C(N)COCC(F)(F)F
InChIInChI=1S/C10H15ClF3N3O2/c1-18-3-2-17-9(7(11)4-16-17)8(15)5-19-6-10(12,13)14/h4,8H,2-3,5-6,15H2,1H3
InChIKeyXMIIRIJHDSGVNE-UHFFFAOYSA-N
MW301.70 g/mol
LogP1.76
Rot. Bonds7

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,2,2-trifluoroethoxy)ethanamine

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216491) has the molecular formula C10H15ClF3N3O2 and a molecular weight of 301.70 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216491
Molecular FormulaC10H15ClF3N3O2
Molecular Weight301.70 g/mol
Exact Mass301.08
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOCCn1ncc(Cl)c1C(N)COCC(F)(F)F
InChIInChI=1S/C10H15ClF3N3O2/c1-18-3-2-17-9(7(11)4-16-17)8(15)5-19-6-10(12,13)14/h4,8H,2-3,5-6,15H2,1H3
InChIKeyXMIIRIJHDSGVNE-UHFFFAOYSA-N
XLogP1.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216491) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,2,2-trifluoroethoxy)ethanamine is COCCn1ncc(Cl)c1C(N)COCC(F)(F)F.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is XMIIRIJHDSGVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3N3O2/c1-18-3-2-17-9(7(11)4-16-17)8(15)5-19-6-10(12,13)14/h4,8H,2-3,5-6,15H2,1H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,2,2-trifluoroethoxy)ethanamine?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 301.70 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).