methyl 1-(6-methoxypyridazin-3-yl)-5-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate

C16H15N5O3 — CID 69380330

IUPACmethyl 1-(6-methoxypyridazin-3-yl)-5-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)nc2)n(-c2ccc(OC)nn2)n1
InChIInChI=1S/C16H15N5O3/c1-10-4-5-11(9-17-10)13-8-12(16(22)24-3)20-21(13)14-6-7-15(23-2)19-18-14/h4-9H,1-3H3
InChIKeyXEKVTUCGQUQVCF-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.83
Rot. Bonds4

About methyl 1-(6-methoxypyridazin-3-yl)-5-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate

methyl 1-(6-methoxypyridazin-3-yl)-5-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate (PubChem CID 69380330) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is methyl 1-(6-methoxypyridazin-3-yl)-5-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-methoxypyridazin-3-yl)-5-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate
PubChem CID69380330
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Namemethyl 1-(6-methoxypyridazin-3-yl)-5-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)nc2)n(-c2ccc(OC)nn2)n1
InChIInChI=1S/C16H15N5O3/c1-10-4-5-11(9-17-10)13-8-12(16(22)24-3)20-21(13)14-6-7-15(23-2)19-18-14/h4-9H,1-3H3
InChIKeyXEKVTUCGQUQVCF-UHFFFAOYSA-N
XLogP1.83
TPSA92.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-methoxypyridazin-3-yl)-5-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 1-(6-methoxypyridazin-3-yl)-5-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate (CID 69380330) is methyl 1-(6-methoxypyridazin-3-yl)-5-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-(6-methoxypyridazin-3-yl)-5-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-(6-methoxypyridazin-3-yl)-5-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate is COC(=O)c1cc(-c2ccc(C)nc2)n(-c2ccc(OC)nn2)n1.
What is the InChIKey of methyl 1-(6-methoxypyridazin-3-yl)-5-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate?
The InChIKey is XEKVTUCGQUQVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-10-4-5-11(9-17-10)13-8-12(16(22)24-3)20-21(13)14-6-7-15(23-2)19-18-14/h4-9H,1-3H3.
What are the key properties of methyl 1-(6-methoxypyridazin-3-yl)-5-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate?
methyl 1-(6-methoxypyridazin-3-yl)-5-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate has a molecular weight of 325.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-methoxypyridazin-3-yl)-5-(6-methyl-3-pyridinyl)pyrazole-3-carboxylate is sourced from PubChem (CID 69380330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).