2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine

C13H15Cl3N4 — CID 79780623

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
SMILESCCc1nn(C)c(CC(N)c2ncc(Cl)cc2Cl)c1Cl
InChIInChI=1S/C13H15Cl3N4/c1-3-10-12(16)11(20(2)19-10)5-9(17)13-8(15)4-7(14)6-18-13/h4,6,9H,3,5,17H2,1-2H3
InChIKeyRQBQXLSLUPTHQS-UHFFFAOYSA-N
MW333.65 g/mol
LogP3.58
Rot. Bonds4

About 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine (PubChem CID 79780623) has the molecular formula C13H15Cl3N4 and a molecular weight of 333.65 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
PubChem CID79780623
Molecular FormulaC13H15Cl3N4
Molecular Weight333.65 g/mol
Exact Mass332.04
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
SMILESCCc1nn(C)c(CC(N)c2ncc(Cl)cc2Cl)c1Cl
InChIInChI=1S/C13H15Cl3N4/c1-3-10-12(16)11(20(2)19-10)5-9(17)13-8(15)4-7(14)6-18-13/h4,6,9H,3,5,17H2,1-2H3
InChIKeyRQBQXLSLUPTHQS-UHFFFAOYSA-N
XLogP3.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.65
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine (CID 79780623) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine is CCc1nn(C)c(CC(N)c2ncc(Cl)cc2Cl)c1Cl.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine?
The InChIKey is RQBQXLSLUPTHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3N4/c1-3-10-12(16)11(20(2)19-10)5-9(17)13-8(15)4-7(14)6-18-13/h4,6,9H,3,5,17H2,1-2H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine has a molecular weight of 333.65 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine is sourced from PubChem (CID 79780623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).