methyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate

C14H10ClN5O2 — CID 23143755

IUPACmethyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccn2)n(-c2ccc(Cl)nn2)n1
InChIInChI=1S/C14H10ClN5O2/c1-22-14(21)10-8-11(9-4-2-3-7-16-9)20(19-10)13-6-5-12(15)17-18-13/h2-8H,1H3
InChIKeyRCLUTYCNQFKFRI-UHFFFAOYSA-N
MW315.72 g/mol
LogP2.16
Rot. Bonds3

About methyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate

methyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate (PubChem CID 23143755) has the molecular formula C14H10ClN5O2 and a molecular weight of 315.72 g/mol. Its IUPAC name is methyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate
PubChem CID23143755
Molecular FormulaC14H10ClN5O2
Molecular Weight315.72 g/mol
Exact Mass315.05
IUPAC Namemethyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccn2)n(-c2ccc(Cl)nn2)n1
InChIInChI=1S/C14H10ClN5O2/c1-22-14(21)10-8-11(9-4-2-3-7-16-9)20(19-10)13-6-5-12(15)17-18-13/h2-8H,1H3
InChIKeyRCLUTYCNQFKFRI-UHFFFAOYSA-N
XLogP2.16
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
CID 23090192
1-(6-chloropyridazin-3-yl)-5-phenylpyrazole-3-carboxylic acid
CID 23090177
(4-methylpiperazin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-pyridin-2-ylpyrazol-3-yl]methanone
CID 143176023
methyl 5-amino-1-pyridin-2-ylpyrazole-3-carboxylate
CID 86250027
(4-fluoropiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-pyridin-2-ylpyrazol-3-yl]methanone
CID 70858729
1-(3-chlorophenyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
CID 62815168
methyl 1-(6-methoxypyridazin-3-yl)-5-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate
CID 69380330
1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
CID 23090500
ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate
CID 178133998
methyl 1-(3-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazole-3-carboxylate
CID 1477228
5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid
CID 23143661
ethyl 5-[3-[(3-methoxybenzoyl)amino]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate
CID 46094004

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate?
The IUPAC name of methyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate (CID 23143755) is methyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate?
The canonical SMILES for methyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate is COC(=O)c1cc(-c2ccccn2)n(-c2ccc(Cl)nn2)n1.
What is the InChIKey of methyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate?
The InChIKey is RCLUTYCNQFKFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O2/c1-22-14(21)10-8-11(9-4-2-3-7-16-9)20(19-10)13-6-5-12(15)17-18-13/h2-8H,1H3.
What are the key properties of methyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate?
methyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate has a molecular weight of 315.72 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-chloropyridazin-3-yl)-5-pyridin-2-ylpyrazole-3-carboxylate is sourced from PubChem (CID 23143755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).