2-methylpropyl 3,5-dimethylpyrazole-1-carboxylate

C10H16N2O2 — CID 67323182

IUPAC2-methylpropyl 3,5-dimethylpyrazole-1-carboxylate
SMILESCc1cc(C)n(C(=O)OCC(C)C)n1
InChIInChI=1S/C10H16N2O2/c1-7(2)6-14-10(13)12-9(4)5-8(3)11-12/h5,7H,6H2,1-4H3
InChIKeyXXXOVTGPJYOFFF-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.14
Rot. Bonds2

About 2-methylpropyl 3,5-dimethylpyrazole-1-carboxylate

2-methylpropyl 3,5-dimethylpyrazole-1-carboxylate (PubChem CID 67323182) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methylpropyl 3,5-dimethylpyrazole-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 3,5-dimethylpyrazole-1-carboxylate
PubChem CID67323182
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-methylpropyl 3,5-dimethylpyrazole-1-carboxylate
SMILESCc1cc(C)n(C(=O)OCC(C)C)n1
InChIInChI=1S/C10H16N2O2/c1-7(2)6-14-10(13)12-9(4)5-8(3)11-12/h5,7H,6H2,1-4H3
InChIKeyXXXOVTGPJYOFFF-UHFFFAOYSA-N
XLogP2.14
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3,5-dimethylpyrazole-1-carboxylate?
The IUPAC name of 2-methylpropyl 3,5-dimethylpyrazole-1-carboxylate (CID 67323182) is 2-methylpropyl 3,5-dimethylpyrazole-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 3,5-dimethylpyrazole-1-carboxylate?
The canonical SMILES for 2-methylpropyl 3,5-dimethylpyrazole-1-carboxylate is Cc1cc(C)n(C(=O)OCC(C)C)n1.
What is the InChIKey of 2-methylpropyl 3,5-dimethylpyrazole-1-carboxylate?
The InChIKey is XXXOVTGPJYOFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(2)6-14-10(13)12-9(4)5-8(3)11-12/h5,7H,6H2,1-4H3.
What are the key properties of 2-methylpropyl 3,5-dimethylpyrazole-1-carboxylate?
2-methylpropyl 3,5-dimethylpyrazole-1-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3,5-dimethylpyrazole-1-carboxylate is sourced from PubChem (CID 67323182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).