dimethyl 3,4-dihydropyrazole-2,5-dicarboxylate

C7H10N2O4 — CID 118341449

IUPACdimethyl 3,4-dihydropyrazole-2,5-dicarboxylate
SMILESCOC(=O)C1=NN(C(=O)OC)CC1
InChIInChI=1S/C7H10N2O4/c1-12-6(10)5-3-4-9(8-5)7(11)13-2/h3-4H2,1-2H3
InChIKeyLFRNIDQUBQWWGA-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.01
Rot. Bonds1

About dimethyl 3,4-dihydropyrazole-2,5-dicarboxylate

dimethyl 3,4-dihydropyrazole-2,5-dicarboxylate (PubChem CID 118341449) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is dimethyl 3,4-dihydropyrazole-2,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,4-dihydropyrazole-2,5-dicarboxylate
PubChem CID118341449
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Namedimethyl 3,4-dihydropyrazole-2,5-dicarboxylate
SMILESCOC(=O)C1=NN(C(=O)OC)CC1
InChIInChI=1S/C7H10N2O4/c1-12-6(10)5-3-4-9(8-5)7(11)13-2/h3-4H2,1-2H3
InChIKeyLFRNIDQUBQWWGA-UHFFFAOYSA-N
XLogP-0.01
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3,4-dihydropyrazole-2,5-dicarboxylate?
The IUPAC name of dimethyl 3,4-dihydropyrazole-2,5-dicarboxylate (CID 118341449) is dimethyl 3,4-dihydropyrazole-2,5-dicarboxylate.
What is the SMILES notation for dimethyl 3,4-dihydropyrazole-2,5-dicarboxylate?
The canonical SMILES for dimethyl 3,4-dihydropyrazole-2,5-dicarboxylate is COC(=O)C1=NN(C(=O)OC)CC1.
What is the InChIKey of dimethyl 3,4-dihydropyrazole-2,5-dicarboxylate?
The InChIKey is LFRNIDQUBQWWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-12-6(10)5-3-4-9(8-5)7(11)13-2/h3-4H2,1-2H3.
What are the key properties of dimethyl 3,4-dihydropyrazole-2,5-dicarboxylate?
dimethyl 3,4-dihydropyrazole-2,5-dicarboxylate has a molecular weight of 186.17 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,4-dihydropyrazole-2,5-dicarboxylate is sourced from PubChem (CID 118341449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).