(2-methoxycarbonylfuran-3-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate

C15H14N2O5S — CID 18169960

IUPAC(2-methoxycarbonylfuran-3-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCOC(=O)c1occc1COC(=O)c1cc2c(C)nn(C)c2s1
InChIInChI=1S/C15H14N2O5S/c1-8-10-6-11(23-13(10)17(2)16-8)14(18)22-7-9-4-5-21-12(9)15(19)20-3/h4-6H,7H2,1-3H3
InChIKeyGMZBHSGUHFBZHP-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.68
Rot. Bonds4

About (2-methoxycarbonylfuran-3-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate

(2-methoxycarbonylfuran-3-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate (PubChem CID 18169960) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is (2-methoxycarbonylfuran-3-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate.

Molecular Properties

Compound Name(2-methoxycarbonylfuran-3-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
PubChem CID18169960
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name(2-methoxycarbonylfuran-3-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCOC(=O)c1occc1COC(=O)c1cc2c(C)nn(C)c2s1
InChIInChI=1S/C15H14N2O5S/c1-8-10-6-11(23-13(10)17(2)16-8)14(18)22-7-9-4-5-21-12(9)15(19)20-3/h4-6H,7H2,1-3H3
InChIKeyGMZBHSGUHFBZHP-UHFFFAOYSA-N
XLogP2.68
TPSA83.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-methoxycarbonylfuran-3-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate?
The IUPAC name of (2-methoxycarbonylfuran-3-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate (CID 18169960) is (2-methoxycarbonylfuran-3-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate.
What is the SMILES notation for (2-methoxycarbonylfuran-3-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate?
The canonical SMILES for (2-methoxycarbonylfuran-3-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate is COC(=O)c1occc1COC(=O)c1cc2c(C)nn(C)c2s1.
What is the InChIKey of (2-methoxycarbonylfuran-3-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate?
The InChIKey is GMZBHSGUHFBZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-8-10-6-11(23-13(10)17(2)16-8)14(18)22-7-9-4-5-21-12(9)15(19)20-3/h4-6H,7H2,1-3H3.
What are the key properties of (2-methoxycarbonylfuran-3-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate?
(2-methoxycarbonylfuran-3-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate has a molecular weight of 334.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycarbonylfuran-3-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate is sourced from PubChem (CID 18169960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).