4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide

C16H16N4OS — CID 52719488

IUPAC4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2cc(-c3cccs3)[nH]n2)cc1
InChIInChI=1S/C16H16N4OS/c1-20(2)12-7-5-11(6-8-12)16(21)17-15-10-13(18-19-15)14-4-3-9-22-14/h3-10H,1-2H3,(H2,17,18,19,21)
InChIKeyDENVGAQBKVLMCV-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.46
Rot. Bonds4

About 4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide

4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 52719488) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID52719488
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2cc(-c3cccs3)[nH]n2)cc1
InChIInChI=1S/C16H16N4OS/c1-20(2)12-7-5-11(6-8-12)16(21)17-15-10-13(18-19-15)14-4-3-9-22-14/h3-10H,1-2H3,(H2,17,18,19,21)
InChIKeyDENVGAQBKVLMCV-UHFFFAOYSA-N
XLogP3.46
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diacetamido-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 55977222
4-[cyclohexyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 60551556
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide
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4-amino-3-nitro-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 52719472
4-(2-oxopyrrolidin-1-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 60551651
5-methyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide
CID 47343826
4-(dimethylamino)-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423237
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-(dimethylamino)benzamide
CID 155701119
2-ethyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 47429703
4-bromo-N-[3-oxo-3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)amino]propyl]benzamide
CID 52719427
3-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-4H-1,4-benzothiazine-6-carboxamide
CID 60551671
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide
CID 47343840

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide (CID 52719488) is 4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide is CN(C)c1ccc(C(=O)Nc2cc(-c3cccs3)[nH]n2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is DENVGAQBKVLMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-20(2)12-7-5-11(6-8-12)16(21)17-15-10-13(18-19-15)14-4-3-9-22-14/h3-10H,1-2H3,(H2,17,18,19,21).
What are the key properties of 4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 312.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 52719488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).