2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine

C15H20Cl2N4 — CID 103444619

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)c(CC)nn1C)c1ncccc1Cl
InChIInChI=1S/C15H20Cl2N4/c1-4-11-14(17)13(21(3)20-11)9-12(18-5-2)15-10(16)7-6-8-19-15/h6-8,12,18H,4-5,9H2,1-3H3
InChIKeyVXLHLKKFJZENJV-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.58
Rot. Bonds6

About 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine (PubChem CID 103444619) has the molecular formula C15H20Cl2N4 and a molecular weight of 327.26 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine
PubChem CID103444619
Molecular FormulaC15H20Cl2N4
Molecular Weight327.26 g/mol
Exact Mass326.11
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)c(CC)nn1C)c1ncccc1Cl
InChIInChI=1S/C15H20Cl2N4/c1-4-11-14(17)13(21(3)20-11)9-12(18-5-2)15-10(16)7-6-8-19-15/h6-8,12,18H,4-5,9H2,1-3H3
InChIKeyVXLHLKKFJZENJV-UHFFFAOYSA-N
XLogP3.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)-N-ethyl-1-(2-iodophenyl)ethanamine
CID 104998497
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-pyridazin-4-ylethanamine
CID 105159794
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
1-(3-chloro-2-pyridinyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 103444657
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 107102608
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine
CID 103444581
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-pyridin-3-ylethyl]hydrazine
CID 105196221
1-(3-chloro-2-pyridinyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 103444536
1-(3-chloro-2-pyridinyl)-2-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 112749578
1-(3-chloro-2-pyridinyl)-N-ethylpentan-1-amine
CID 103444452

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine (CID 103444619) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine is CCNC(Cc1c(Cl)c(CC)nn1C)c1ncccc1Cl.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine?
The InChIKey is VXLHLKKFJZENJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N4/c1-4-11-14(17)13(21(3)20-11)9-12(18-5-2)15-10(16)7-6-8-19-15/h6-8,12,18H,4-5,9H2,1-3H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine has a molecular weight of 327.26 g/mol, XLogP of 3.58, 6 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-chloro-2-pyridinyl)-N-ethylethanamine is sourced from PubChem (CID 103444619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).