3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide

C17H14N4OS — CID 122265064

IUPAC3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESN#Cc1cccc(C(=O)NCC(c2cccs2)n2cccn2)c1
InChIInChI=1S/C17H14N4OS/c18-11-13-4-1-5-14(10-13)17(22)19-12-15(16-6-2-9-23-16)21-8-3-7-20-21/h1-10,15H,12H2,(H,19,22)
InChIKeyKSGNOLSUAWRIFM-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.84
Rot. Bonds5

About 3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide

3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 122265064) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID122265064
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESN#Cc1cccc(C(=O)NCC(c2cccs2)n2cccn2)c1
InChIInChI=1S/C17H14N4OS/c18-11-13-4-1-5-14(10-13)17(22)19-12-15(16-6-2-9-23-16)21-8-3-7-20-21/h1-10,15H,12H2,(H,19,22)
InChIKeyKSGNOLSUAWRIFM-UHFFFAOYSA-N
XLogP2.84
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335288
3-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 122264606
3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90499972
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
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
2-chloro-6-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 121019313
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265035
4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265187
2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265077

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide (CID 122265064) is 3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide is N#Cc1cccc(C(=O)NCC(c2cccs2)n2cccn2)c1.
What is the InChIKey of 3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is KSGNOLSUAWRIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c18-11-13-4-1-5-14(10-13)17(22)19-12-15(16-6-2-9-23-16)21-8-3-7-20-21/h1-10,15H,12H2,(H,19,22).
What are the key properties of 3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 322.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 122265064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).