chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;1-pyridin-3-ylpyrazol-3-amine

C16H14Cl2CuN7 — CID 161161799

IUPACchlorocopper;3-(3-chloropyrazol-1-yl)pyridine;1-pyridin-3-ylpyrazol-3-amine
SMILESCl[Cu].Clc1ccn(-c2cccnc2)n1.Nc1ccn(-c2cccnc2)n1
InChIInChI=1S/C8H6ClN3.C8H8N4.ClH.Cu/c2*9-8-3-5-12(11-8)7-2-1-4-10-6-7;;/h1-6H;1-6H,(H2,9,11);1H;/q;;;+1/p-1
InChIKeyUQAAEIKQNPSKJY-UHFFFAOYSA-M
MW438.79 g/mol
LogP3.46
Rot. Bonds2

About chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;1-pyridin-3-ylpyrazol-3-amine

chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;1-pyridin-3-ylpyrazol-3-amine (PubChem CID 161161799) has the molecular formula C16H14Cl2CuN7 and a molecular weight of 438.79 g/mol. Its IUPAC name is chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;1-pyridin-3-ylpyrazol-3-amine.

Molecular Properties

Compound Namechlorocopper;3-(3-chloropyrazol-1-yl)pyridine;1-pyridin-3-ylpyrazol-3-amine
PubChem CID161161799
Molecular FormulaC16H14Cl2CuN7
Molecular Weight438.79 g/mol
Exact Mass437.00
IUPAC Namechlorocopper;3-(3-chloropyrazol-1-yl)pyridine;1-pyridin-3-ylpyrazol-3-amine
SMILESCl[Cu].Clc1ccn(-c2cccnc2)n1.Nc1ccn(-c2cccnc2)n1
InChIInChI=1S/C8H6ClN3.C8H8N4.ClH.Cu/c2*9-8-3-5-12(11-8)7-2-1-4-10-6-7;;/h1-6H;1-6H,(H2,9,11);1H;/q;;;+1/p-1
InChIKeyUQAAEIKQNPSKJY-UHFFFAOYSA-M
XLogP3.46
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-Chloro-5-fluoro-3-pyridinyl)pyrazol-3-amine
CID 134588796
1-[[6-[2-[6-[(4,5-Diaminopyrazol-1-yl)methyl]-2-pyridinyl]ethyl]-2-pyridinyl]methyl]pyrazole-4,5-diamine
CID 12011903
5-chloro-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 23541182
N-[1-(4-chlorophenyl)pyrazol-3-yl]pyridin-3-amine
CID 54334927
3-Chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine
CID 58336788
1-(Pyridin-3-yl)-1H-pyrazol-3-amine
CID 63705024
3-Chloro-1-pyridin-2-ylpyrazole-4,5-diamine
CID 66769939
1-(4-Chloro-2-pyridinyl)pyrazol-4-amine
CID 84773267
3-chloro-1-(pyridin-3-yl)-1H-pyrazole-4-amine dihydrochloride
CID 86705832
1-[(3,5-Dichloro-2-pyridinyl)methyl]pyrazol-3-amine
CID 89732233
1-(2-Chloropyridin-3-yl)-1H-pyrazole-3-amine
CID 90095381
6-[2-(5-Aminopyrazolo[1,5-a]pyridin-2-yl)hydrazinyl]pyrazolo[1,5-a]pyridin-2-amine
CID 123814214

Frequently Asked Questions

What is the IUPAC name of chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;1-pyridin-3-ylpyrazol-3-amine?
The IUPAC name of chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;1-pyridin-3-ylpyrazol-3-amine (CID 161161799) is chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;1-pyridin-3-ylpyrazol-3-amine.
What is the SMILES notation for chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;1-pyridin-3-ylpyrazol-3-amine?
The canonical SMILES for chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;1-pyridin-3-ylpyrazol-3-amine is Cl[Cu].Clc1ccn(-c2cccnc2)n1.Nc1ccn(-c2cccnc2)n1.
What is the InChIKey of chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;1-pyridin-3-ylpyrazol-3-amine?
The InChIKey is UQAAEIKQNPSKJY-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6ClN3.C8H8N4.ClH.Cu/c2*9-8-3-5-12(11-8)7-2-1-4-10-6-7;;/h1-6H;1-6H,(H2,9,11);1H;/q;;;+1/p-1.
What are the key properties of chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;1-pyridin-3-ylpyrazol-3-amine?
chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;1-pyridin-3-ylpyrazol-3-amine has a molecular weight of 438.79 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;1-pyridin-3-ylpyrazol-3-amine is sourced from PubChem (CID 161161799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).