methyl 1-(2-methylpyrazole-3-carbonyl)pyrazole-3-carboxylate

C10H10N4O3 — CID 672841

IUPACmethyl 1-(2-methylpyrazole-3-carbonyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(C(=O)c2ccnn2C)n1
InChIInChI=1S/C10H10N4O3/c1-13-8(3-5-11-13)9(15)14-6-4-7(12-14)10(16)17-2/h3-6H,1-2H3
InChIKeyGGWXTZPXDJHVAU-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.09
Rot. Bonds2

About methyl 1-(2-methylpyrazole-3-carbonyl)pyrazole-3-carboxylate

methyl 1-(2-methylpyrazole-3-carbonyl)pyrazole-3-carboxylate (PubChem CID 672841) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is methyl 1-(2-methylpyrazole-3-carbonyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methylpyrazole-3-carbonyl)pyrazole-3-carboxylate
PubChem CID672841
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Namemethyl 1-(2-methylpyrazole-3-carbonyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(C(=O)c2ccnn2C)n1
InChIInChI=1S/C10H10N4O3/c1-13-8(3-5-11-13)9(15)14-6-4-7(12-14)10(16)17-2/h3-6H,1-2H3
InChIKeyGGWXTZPXDJHVAU-UHFFFAOYSA-N
XLogP0.09
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methylpyrazole-3-carbonyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 1-(2-methylpyrazole-3-carbonyl)pyrazole-3-carboxylate (CID 672841) is methyl 1-(2-methylpyrazole-3-carbonyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-(2-methylpyrazole-3-carbonyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-(2-methylpyrazole-3-carbonyl)pyrazole-3-carboxylate is COC(=O)c1ccn(C(=O)c2ccnn2C)n1.
What is the InChIKey of methyl 1-(2-methylpyrazole-3-carbonyl)pyrazole-3-carboxylate?
The InChIKey is GGWXTZPXDJHVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-13-8(3-5-11-13)9(15)14-6-4-7(12-14)10(16)17-2/h3-6H,1-2H3.
What are the key properties of methyl 1-(2-methylpyrazole-3-carbonyl)pyrazole-3-carboxylate?
methyl 1-(2-methylpyrazole-3-carbonyl)pyrazole-3-carboxylate has a molecular weight of 234.22 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methylpyrazole-3-carbonyl)pyrazole-3-carboxylate is sourced from PubChem (CID 672841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).