dimethyl 3-(furan-2-carbonyl)-1H-pyrazole-4,5-dicarboxylate

C12H10N2O6 — CID 5256064

IUPACdimethyl 3-(furan-2-carbonyl)-1H-pyrazole-4,5-dicarboxylate
SMILESCOC(=O)c1[nH]nc(C(=O)c2ccco2)c1C(=O)OC
InChIInChI=1S/C12H10N2O6/c1-18-11(16)7-8(10(15)6-4-3-5-20-6)13-14-9(7)12(17)19-2/h3-5H,1-2H3,(H,13,14)
InChIKeySVHONVBJRZVDTN-UHFFFAOYSA-N
MW278.22 g/mol
LogP0.81
Rot. Bonds4

About dimethyl 3-(furan-2-carbonyl)-1H-pyrazole-4,5-dicarboxylate

dimethyl 3-(furan-2-carbonyl)-1H-pyrazole-4,5-dicarboxylate (PubChem CID 5256064) has the molecular formula C12H10N2O6 and a molecular weight of 278.22 g/mol. Its IUPAC name is dimethyl 3-(furan-2-carbonyl)-1H-pyrazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(furan-2-carbonyl)-1H-pyrazole-4,5-dicarboxylate
PubChem CID5256064
Molecular FormulaC12H10N2O6
Molecular Weight278.22 g/mol
Exact Mass278.05
IUPAC Namedimethyl 3-(furan-2-carbonyl)-1H-pyrazole-4,5-dicarboxylate
SMILESCOC(=O)c1[nH]nc(C(=O)c2ccco2)c1C(=O)OC
InChIInChI=1S/C12H10N2O6/c1-18-11(16)7-8(10(15)6-4-3-5-20-6)13-14-9(7)12(17)19-2/h3-5H,1-2H3,(H,13,14)
InChIKeySVHONVBJRZVDTN-UHFFFAOYSA-N
XLogP0.81
TPSA111.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,1'-biphenyl;methyl furan-2-carboxylate
CID 159970386
methyl 4-(furan-2-yl)-7-methoxy-2H-indazole-3-carboxylate
CID 168527751
N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24683439
dimethyl 4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazole-3,5-dicarboxylate
CID 135926885
methyl 3-(2-chlorobenzoyl)-5-methyl-1H-pyrazole-4-carboxylate
CID 70433022
methyl 2H-benzo[g]indazole-3-carboxylate
CID 141005512
methyl (7R)-6-(furan-2-carbonyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
CID 137076080
(3-ethyl-2-pyridinyl)-(furan-2-yl)methanone
CID 82729679
furan-2-yl(2H-tetrazol-5-yl)methanone
CID 139864601
methyl 4-(furan-2-carbonyloxy)-2-methyl-1-benzofuran-3-carboxylate
CID 141376921
dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate
CID 843075
methyl 2-chloro-6-(furan-2-yl)benzoate
CID 168524975

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(furan-2-carbonyl)-1H-pyrazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-(furan-2-carbonyl)-1H-pyrazole-4,5-dicarboxylate (CID 5256064) is dimethyl 3-(furan-2-carbonyl)-1H-pyrazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-(furan-2-carbonyl)-1H-pyrazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-(furan-2-carbonyl)-1H-pyrazole-4,5-dicarboxylate is COC(=O)c1[nH]nc(C(=O)c2ccco2)c1C(=O)OC.
What is the InChIKey of dimethyl 3-(furan-2-carbonyl)-1H-pyrazole-4,5-dicarboxylate?
The InChIKey is SVHONVBJRZVDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O6/c1-18-11(16)7-8(10(15)6-4-3-5-20-6)13-14-9(7)12(17)19-2/h3-5H,1-2H3,(H,13,14).
What are the key properties of dimethyl 3-(furan-2-carbonyl)-1H-pyrazole-4,5-dicarboxylate?
dimethyl 3-(furan-2-carbonyl)-1H-pyrazole-4,5-dicarboxylate has a molecular weight of 278.22 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(furan-2-carbonyl)-1H-pyrazole-4,5-dicarboxylate is sourced from PubChem (CID 5256064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).