2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-pyridazin-4-ylethanamine

C14H20ClN5 — CID 105159794

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-pyridazin-4-ylethanamine
SMILESCCNC(Cc1c(Cl)c(CC)nn1C)c1ccnnc1
InChIInChI=1S/C14H20ClN5/c1-4-11-14(15)13(20(3)19-11)8-12(16-5-2)10-6-7-17-18-9-10/h6-7,9,12,16H,4-5,8H2,1-3H3
InChIKeyUOLHQOBABJMYLH-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.32
Rot. Bonds6

About 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-pyridazin-4-ylethanamine

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-pyridazin-4-ylethanamine (PubChem CID 105159794) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-pyridazin-4-ylethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-pyridazin-4-ylethanamine
PubChem CID105159794
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-pyridazin-4-ylethanamine
SMILESCCNC(Cc1c(Cl)c(CC)nn1C)c1ccnnc1
InChIInChI=1S/C14H20ClN5/c1-4-11-14(15)13(20(3)19-11)8-12(16-5-2)10-6-7-17-18-9-10/h6-7,9,12,16H,4-5,8H2,1-3H3
InChIKeyUOLHQOBABJMYLH-UHFFFAOYSA-N
XLogP2.32
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-pyridazin-4-ylethanamine
CID 105159900
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105159863
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine
CID 103444619
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(2-iodophenyl)ethanamine
CID 104998497
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine
CID 104998451
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 104998492
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-pyridin-3-ylethyl]hydrazine
CID 105196221
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
CID 105279877
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105159919
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 104998575
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethanol
CID 105105629
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107975990

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-pyridazin-4-ylethanamine?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-pyridazin-4-ylethanamine (CID 105159794) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-pyridazin-4-ylethanamine.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-pyridazin-4-ylethanamine?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-pyridazin-4-ylethanamine is CCNC(Cc1c(Cl)c(CC)nn1C)c1ccnnc1.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-pyridazin-4-ylethanamine?
The InChIKey is UOLHQOBABJMYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-4-11-14(15)13(20(3)19-11)8-12(16-5-2)10-6-7-17-18-9-10/h6-7,9,12,16H,4-5,8H2,1-3H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-pyridazin-4-ylethanamine?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-pyridazin-4-ylethanamine has a molecular weight of 293.80 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-pyridazin-4-ylethanamine is sourced from PubChem (CID 105159794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).