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

C16H14Cl3CuN7 — CID 159651461

IUPAC3-(3-chloropyrazol-1-yl)pyridine;dichlorocopper;1-pyridin-3-ylpyrazol-3-amine
SMILESCl[Cu]Cl.Clc1ccn(-c2cccnc2)n1.Nc1ccn(-c2cccnc2)n1
InChIInChI=1S/C8H6ClN3.C8H8N4.2ClH.Cu/c2*9-8-3-5-12(11-8)7-2-1-4-10-6-7;;;/h1-6H;1-6H,(H2,9,11);2*1H;/q;;;;+2/p-2
InChIKeyMRPWCHQIBMTZLP-UHFFFAOYSA-L
MW474.24 g/mol
LogP4.15
Rot. Bonds2

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

3-(3-chloropyrazol-1-yl)pyridine;dichlorocopper;1-pyridin-3-ylpyrazol-3-amine (PubChem CID 159651461) has the molecular formula C16H14Cl3CuN7 and a molecular weight of 474.24 g/mol. Its IUPAC name is 3-(3-chloropyrazol-1-yl)pyridine;dichlorocopper;1-pyridin-3-ylpyrazol-3-amine.

Molecular Properties

Compound Name3-(3-chloropyrazol-1-yl)pyridine;dichlorocopper;1-pyridin-3-ylpyrazol-3-amine
PubChem CID159651461
Molecular FormulaC16H14Cl3CuN7
Molecular Weight474.24 g/mol
Exact Mass471.97
IUPAC Name3-(3-chloropyrazol-1-yl)pyridine;dichlorocopper;1-pyridin-3-ylpyrazol-3-amine
SMILESCl[Cu]Cl.Clc1ccn(-c2cccnc2)n1.Nc1ccn(-c2cccnc2)n1
InChIInChI=1S/C8H6ClN3.C8H8N4.2ClH.Cu/c2*9-8-3-5-12(11-8)7-2-1-4-10-6-7;;;/h1-6H;1-6H,(H2,9,11);2*1H;/q;;;;+2/p-2
InChIKeyMRPWCHQIBMTZLP-UHFFFAOYSA-L
XLogP4.15
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.24
LogP ≤ 54.15
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 3-(3-chloropyrazol-1-yl)pyridine;dichlorocopper;1-pyridin-3-ylpyrazol-3-amine?
The IUPAC name of 3-(3-chloropyrazol-1-yl)pyridine;dichlorocopper;1-pyridin-3-ylpyrazol-3-amine (CID 159651461) is 3-(3-chloropyrazol-1-yl)pyridine;dichlorocopper;1-pyridin-3-ylpyrazol-3-amine.
What is the SMILES notation for 3-(3-chloropyrazol-1-yl)pyridine;dichlorocopper;1-pyridin-3-ylpyrazol-3-amine?
The canonical SMILES for 3-(3-chloropyrazol-1-yl)pyridine;dichlorocopper;1-pyridin-3-ylpyrazol-3-amine is Cl[Cu]Cl.Clc1ccn(-c2cccnc2)n1.Nc1ccn(-c2cccnc2)n1.
What is the InChIKey of 3-(3-chloropyrazol-1-yl)pyridine;dichlorocopper;1-pyridin-3-ylpyrazol-3-amine?
The InChIKey is MRPWCHQIBMTZLP-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H6ClN3.C8H8N4.2ClH.Cu/c2*9-8-3-5-12(11-8)7-2-1-4-10-6-7;;;/h1-6H;1-6H,(H2,9,11);2*1H;/q;;;;+2/p-2.
What are the key properties of 3-(3-chloropyrazol-1-yl)pyridine;dichlorocopper;1-pyridin-3-ylpyrazol-3-amine?
3-(3-chloropyrazol-1-yl)pyridine;dichlorocopper;1-pyridin-3-ylpyrazol-3-amine has a molecular weight of 474.24 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropyrazol-1-yl)pyridine;dichlorocopper;1-pyridin-3-ylpyrazol-3-amine is sourced from PubChem (CID 159651461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).