4-ethyl-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide

C17H17N3OS — CID 53163522

IUPAC4-ethyl-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide
SMILESCCc1ccc(C(=O)Nc2cc(-c3ccn[nH]3)sc2C)cc1
InChIInChI=1S/C17H17N3OS/c1-3-12-4-6-13(7-5-12)17(21)19-15-10-16(22-11(15)2)14-8-9-18-20-14/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOZYSSVFGPBAUSM-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.26
Rot. Bonds4

About 4-ethyl-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide

4-ethyl-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide (PubChem CID 53163522) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-ethyl-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide
PubChem CID53163522
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name4-ethyl-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide
SMILESCCc1ccc(C(=O)Nc2cc(-c3ccn[nH]3)sc2C)cc1
InChIInChI=1S/C17H17N3OS/c1-3-12-4-6-13(7-5-12)17(21)19-15-10-16(22-11(15)2)14-8-9-18-20-14/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOZYSSVFGPBAUSM-UHFFFAOYSA-N
XLogP4.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide?
The IUPAC name of 4-ethyl-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide (CID 53163522) is 4-ethyl-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide.
What is the SMILES notation for 4-ethyl-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide?
The canonical SMILES for 4-ethyl-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide is CCc1ccc(C(=O)Nc2cc(-c3ccn[nH]3)sc2C)cc1.
What is the InChIKey of 4-ethyl-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide?
The InChIKey is OZYSSVFGPBAUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-3-12-4-6-13(7-5-12)17(21)19-15-10-16(22-11(15)2)14-8-9-18-20-14/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 4-ethyl-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide?
4-ethyl-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide has a molecular weight of 311.41 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide is sourced from PubChem (CID 53163522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).