2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide

C18H19N3OS — CID 122265068

IUPAC2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESCc1ccc(C)c(C(=O)NCC(c2cccs2)n2cccn2)c1
InChIInChI=1S/C18H19N3OS/c1-13-6-7-14(2)15(11-13)18(22)19-12-16(17-5-3-10-23-17)21-9-4-8-20-21/h3-11,16H,12H2,1-2H3,(H,19,22)
InChIKeyROTDADXVHVTQAN-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.58
Rot. Bonds5

About 2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide

2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 122265068) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID122265068
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESCc1ccc(C)c(C(=O)NCC(c2cccs2)n2cccn2)c1
InChIInChI=1S/C18H19N3OS/c1-13-6-7-14(2)15(11-13)18(22)19-12-16(17-5-3-10-23-17)21-9-4-8-20-21/h3-11,16H,12H2,1-2H3,(H,19,22)
InChIKeyROTDADXVHVTQAN-UHFFFAOYSA-N
XLogP3.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265055
methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
CID 122265033
N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide
CID 122265353
3,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide
CID 119102039
4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265056
4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265088
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265035
3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265064
2-chloro-6-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 121019313
2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 119102022
2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265077
4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265187

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide (CID 122265068) is 2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide is Cc1ccc(C)c(C(=O)NCC(c2cccs2)n2cccn2)c1.
What is the InChIKey of 2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is ROTDADXVHVTQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13-6-7-14(2)15(11-13)18(22)19-12-16(17-5-3-10-23-17)21-9-4-8-20-21/h3-11,16H,12H2,1-2H3,(H,19,22).
What are the key properties of 2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 325.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 122265068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).