methyl 1,5-dimethylpyrazole-3-carboxylate

C7H10N2O2 — CID 2755339

IUPACmethyl 1,5-dimethylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C)n(C)n1
InChIInChI=1S/C7H10N2O2/c1-5-4-6(7(10)11-3)8-9(5)2/h4H,1-3H3
InChIKeyWOBRRDCECRRRGS-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.52
Rot. Bonds1

About methyl 1,5-dimethylpyrazole-3-carboxylate

methyl 1,5-dimethylpyrazole-3-carboxylate (PubChem CID 2755339) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is methyl 1,5-dimethylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,5-dimethylpyrazole-3-carboxylate
PubChem CID2755339
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Namemethyl 1,5-dimethylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C)n(C)n1
InChIInChI=1S/C7H10N2O2/c1-5-4-6(7(10)11-3)8-9(5)2/h4H,1-3H3
InChIKeyWOBRRDCECRRRGS-UHFFFAOYSA-N
XLogP0.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1,5-dimethylpyrazole-3-carboxylate?
The IUPAC name of methyl 1,5-dimethylpyrazole-3-carboxylate (CID 2755339) is methyl 1,5-dimethylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 1,5-dimethylpyrazole-3-carboxylate?
The canonical SMILES for methyl 1,5-dimethylpyrazole-3-carboxylate is COC(=O)c1cc(C)n(C)n1.
What is the InChIKey of methyl 1,5-dimethylpyrazole-3-carboxylate?
The InChIKey is WOBRRDCECRRRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5-4-6(7(10)11-3)8-9(5)2/h4H,1-3H3.
What are the key properties of methyl 1,5-dimethylpyrazole-3-carboxylate?
methyl 1,5-dimethylpyrazole-3-carboxylate has a molecular weight of 154.17 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,5-dimethylpyrazole-3-carboxylate is sourced from PubChem (CID 2755339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).