1-(6-methoxypyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylic acid

C14H12N6O3 — CID 23143549

IUPAC1-(6-methoxypyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)cc2-c2cnc(C)cn2)nn1
InChIInChI=1S/C14H12N6O3/c1-8-6-16-10(7-15-8)11-5-9(14(21)22)19-20(11)12-3-4-13(23-2)18-17-12/h3-7H,1-2H3,(H,21,22)
InChIKeyDVMYSVSGTKHHKT-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.13
Rot. Bonds4

About 1-(6-methoxypyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylic acid

1-(6-methoxypyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylic acid (PubChem CID 23143549) has the molecular formula C14H12N6O3 and a molecular weight of 312.29 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylic acid
PubChem CID23143549
Molecular FormulaC14H12N6O3
Molecular Weight312.29 g/mol
Exact Mass312.10
IUPAC Name1-(6-methoxypyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)cc2-c2cnc(C)cn2)nn1
InChIInChI=1S/C14H12N6O3/c1-8-6-16-10(7-15-8)11-5-9(14(21)22)19-20(11)12-3-4-13(23-2)18-17-12/h3-7H,1-2H3,(H,21,22)
InChIKeyDVMYSVSGTKHHKT-UHFFFAOYSA-N
XLogP1.13
TPSA115.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylic acid (CID 23143549) is 1-(6-methoxypyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylic acid is COc1ccc(-n2nc(C(=O)O)cc2-c2cnc(C)cn2)nn1.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylic acid?
The InChIKey is DVMYSVSGTKHHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O3/c1-8-6-16-10(7-15-8)11-5-9(14(21)22)19-20(11)12-3-4-13(23-2)18-17-12/h3-7H,1-2H3,(H,21,22).
What are the key properties of 1-(6-methoxypyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylic acid?
1-(6-methoxypyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylic acid has a molecular weight of 312.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)-5-(5-methylpyrazin-2-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 23143549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).