5-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-3-carboxamide

C13H17N3OS — CID 19617153

IUPAC5-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-3-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(C)n(CC)n2)cs1
InChIInChI=1S/C13H17N3OS/c1-4-11-7-10(8-18-11)13(17)14-12-6-9(3)16(5-2)15-12/h6-8H,4-5H2,1-3H3,(H,14,15,17)
InChIKeyJZDNVTDWOGOVIH-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.09
Rot. Bonds4

About 5-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-3-carboxamide

5-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-3-carboxamide (PubChem CID 19617153) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-3-carboxamide
PubChem CID19617153
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-3-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(C)n(CC)n2)cs1
InChIInChI=1S/C13H17N3OS/c1-4-11-7-10(8-18-11)13(17)14-12-6-9(3)16(5-2)15-12/h6-8H,4-5H2,1-3H3,(H,14,15,17)
InChIKeyJZDNVTDWOGOVIH-UHFFFAOYSA-N
XLogP3.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-3-carboxamide?
The IUPAC name of 5-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-3-carboxamide (CID 19617153) is 5-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-3-carboxamide is CCc1cc(C(=O)Nc2cc(C)n(CC)n2)cs1.
What is the InChIKey of 5-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-3-carboxamide?
The InChIKey is JZDNVTDWOGOVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-4-11-7-10(8-18-11)13(17)14-12-6-9(3)16(5-2)15-12/h6-8H,4-5H2,1-3H3,(H,14,15,17).
What are the key properties of 5-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-3-carboxamide?
5-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-3-carboxamide has a molecular weight of 263.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 19617153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).