4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide

C18H20N4OS — CID 122265088

IUPAC4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESCN(C)c1ccc(C(=O)NCC(c2cccs2)n2cccn2)cc1
InChIInChI=1S/C18H20N4OS/c1-21(2)15-8-6-14(7-9-15)18(23)19-13-16(17-5-3-12-24-17)22-11-4-10-20-22/h3-12,16H,13H2,1-2H3,(H,19,23)
InChIKeyRSCNIPVCIRCDRT-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.03
Rot. Bonds6

About 4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide

4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 122265088) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID122265088
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESCN(C)c1ccc(C(=O)NCC(c2cccs2)n2cccn2)cc1
InChIInChI=1S/C18H20N4OS/c1-21(2)15-8-6-14(7-9-15)18(23)19-13-16(17-5-3-12-24-17)22-11-4-10-20-22/h3-12,16H,13H2,1-2H3,(H,19,23)
InChIKeyRSCNIPVCIRCDRT-UHFFFAOYSA-N
XLogP3.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265056
4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265187
methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
CID 122265033
3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265064
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265035
2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265055
2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265068
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
2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265077
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

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide (CID 122265088) is 4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide is CN(C)c1ccc(C(=O)NCC(c2cccs2)n2cccn2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is RSCNIPVCIRCDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-21(2)15-8-6-14(7-9-15)18(23)19-13-16(17-5-3-12-24-17)22-11-4-10-20-22/h3-12,16H,13H2,1-2H3,(H,19,23).
What are the key properties of 4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 340.45 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 122265088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).