5-(5-methylfuran-2-yl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide

C13H11N3O2S — CID 167873778

IUPAC5-(5-methylfuran-2-yl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3cn[nH]c3)s2)o1
InChIInChI=1S/C13H11N3O2S/c1-8-2-3-10(18-8)11-4-5-12(19-11)13(17)16-9-6-14-15-7-9/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyAYDLHBAMROLCPN-UHFFFAOYSA-N
MW273.32 g/mol
LogP3.29
Rot. Bonds3

About 5-(5-methylfuran-2-yl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide

5-(5-methylfuran-2-yl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide (PubChem CID 167873778) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide
PubChem CID167873778
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name5-(5-methylfuran-2-yl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3cn[nH]c3)s2)o1
InChIInChI=1S/C13H11N3O2S/c1-8-2-3-10(18-8)11-4-5-12(19-11)13(17)16-9-6-14-15-7-9/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyAYDLHBAMROLCPN-UHFFFAOYSA-N
XLogP3.29
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(5-methylfuran-2-yl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide (CID 167873778) is 5-(5-methylfuran-2-yl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(5-methylfuran-2-yl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide is Cc1ccc(-c2ccc(C(=O)Nc3cn[nH]c3)s2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide?
The InChIKey is AYDLHBAMROLCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-8-2-3-10(18-8)11-4-5-12(19-11)13(17)16-9-6-14-15-7-9/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-(5-methylfuran-2-yl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide?
5-(5-methylfuran-2-yl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 167873778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).