methyl 1,4-dimethylpyrazole-5-carboxylate

C7H10N2O2 — CID 20718564

IUPACmethyl 1,4-dimethylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(C)cnn1C
InChIInChI=1S/C7H10N2O2/c1-5-4-8-9(2)6(5)7(10)11-3/h4H,1-3H3
InChIKeyCVYXYKIGEFNVQQ-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.52
Rot. Bonds1

About methyl 1,4-dimethylpyrazole-5-carboxylate

methyl 1,4-dimethylpyrazole-5-carboxylate (PubChem CID 20718564) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is methyl 1,4-dimethylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1,4-dimethylpyrazole-5-carboxylate
PubChem CID20718564
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Namemethyl 1,4-dimethylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(C)cnn1C
InChIInChI=1S/C7H10N2O2/c1-5-4-8-9(2)6(5)7(10)11-3/h4H,1-3H3
InChIKeyCVYXYKIGEFNVQQ-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 1,4-dimethylpyrazole-5-carboxylate?
The IUPAC name of methyl 1,4-dimethylpyrazole-5-carboxylate (CID 20718564) is methyl 1,4-dimethylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 1,4-dimethylpyrazole-5-carboxylate?
The canonical SMILES for methyl 1,4-dimethylpyrazole-5-carboxylate is COC(=O)c1c(C)cnn1C.
What is the InChIKey of methyl 1,4-dimethylpyrazole-5-carboxylate?
The InChIKey is CVYXYKIGEFNVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5-4-8-9(2)6(5)7(10)11-3/h4H,1-3H3.
What are the key properties of methyl 1,4-dimethylpyrazole-5-carboxylate?
methyl 1,4-dimethylpyrazole-5-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 1,4-dimethylpyrazole-5-carboxylate is sourced from PubChem (CID 20718564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).