methyl 3-[5-(1H-pyrazol-5-yl)furan-2-yl]thiophene-2-carboxylate

C13H10N2O3S — CID 2739720

IUPACmethyl 3-[5-(1H-pyrazol-5-yl)furan-2-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C13H10N2O3S/c1-17-13(16)12-8(5-7-19-12)10-2-3-11(18-10)9-4-6-14-15-9/h2-7H,1H3,(H,14,15)
InChIKeyWMBHJONOSHBKTJ-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.18
Rot. Bonds3

About methyl 3-[5-(1H-pyrazol-5-yl)furan-2-yl]thiophene-2-carboxylate

methyl 3-[5-(1H-pyrazol-5-yl)furan-2-yl]thiophene-2-carboxylate (PubChem CID 2739720) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is methyl 3-[5-(1H-pyrazol-5-yl)furan-2-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[5-(1H-pyrazol-5-yl)furan-2-yl]thiophene-2-carboxylate
PubChem CID2739720
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Namemethyl 3-[5-(1H-pyrazol-5-yl)furan-2-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C13H10N2O3S/c1-17-13(16)12-8(5-7-19-12)10-2-3-11(18-10)9-4-6-14-15-9/h2-7H,1H3,(H,14,15)
InChIKeyWMBHJONOSHBKTJ-UHFFFAOYSA-N
XLogP3.18
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(1H-pyrazol-5-yl)furan-2-yl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[5-(1H-pyrazol-5-yl)furan-2-yl]thiophene-2-carboxylate (CID 2739720) is methyl 3-[5-(1H-pyrazol-5-yl)furan-2-yl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[5-(1H-pyrazol-5-yl)furan-2-yl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[5-(1H-pyrazol-5-yl)furan-2-yl]thiophene-2-carboxylate is COC(=O)c1sccc1-c1ccc(-c2ccn[nH]2)o1.
What is the InChIKey of methyl 3-[5-(1H-pyrazol-5-yl)furan-2-yl]thiophene-2-carboxylate?
The InChIKey is WMBHJONOSHBKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c1-17-13(16)12-8(5-7-19-12)10-2-3-11(18-10)9-4-6-14-15-9/h2-7H,1H3,(H,14,15).
What are the key properties of methyl 3-[5-(1H-pyrazol-5-yl)furan-2-yl]thiophene-2-carboxylate?
methyl 3-[5-(1H-pyrazol-5-yl)furan-2-yl]thiophene-2-carboxylate has a molecular weight of 274.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(1H-pyrazol-5-yl)furan-2-yl]thiophene-2-carboxylate is sourced from PubChem (CID 2739720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).