dimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate

C15H16N2O5 — CID 15942029

IUPACdimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate
SMILESCOCc1c(C(=O)OC)c(C(=O)OC)nn1-c1ccccc1
InChIInChI=1S/C15H16N2O5/c1-20-9-11-12(14(18)21-2)13(15(19)22-3)16-17(11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyIAPJHHYHCKCHDX-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.59
Rot. Bonds5

About dimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate

dimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate (PubChem CID 15942029) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is dimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate
PubChem CID15942029
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Namedimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate
SMILESCOCc1c(C(=O)OC)c(C(=O)OC)nn1-c1ccccc1
InChIInChI=1S/C15H16N2O5/c1-20-9-11-12(14(18)21-2)13(15(19)22-3)16-17(11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyIAPJHHYHCKCHDX-UHFFFAOYSA-N
XLogP1.59
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate?
The IUPAC name of dimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate (CID 15942029) is dimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate?
The canonical SMILES for dimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate is COCc1c(C(=O)OC)c(C(=O)OC)nn1-c1ccccc1.
What is the InChIKey of dimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate?
The InChIKey is IAPJHHYHCKCHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-20-9-11-12(14(18)21-2)13(15(19)22-3)16-17(11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of dimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate?
dimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate has a molecular weight of 304.30 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate is sourced from PubChem (CID 15942029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).