3-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide

C19H18N4OS — CID 122264606

IUPAC3-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide
SMILESCc1cc(C)n(C(CNC(=O)c2cccc(C#N)c2)c2cccs2)n1
InChIInChI=1S/C19H18N4OS/c1-13-9-14(2)23(22-13)17(18-7-4-8-25-18)12-21-19(24)16-6-3-5-15(10-16)11-20/h3-10,17H,12H2,1-2H3,(H,21,24)
InChIKeyNDCHBZAWXQVNOR-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.45
Rot. Bonds5

About 3-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide

3-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide (PubChem CID 122264606) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 3-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide
PubChem CID122264606
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name3-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide
SMILESCc1cc(C)n(C(CNC(=O)c2cccc(C#N)c2)c2cccs2)n1
InChIInChI=1S/C19H18N4OS/c1-13-9-14(2)23(22-13)17(18-7-4-8-25-18)12-21-19(24)16-6-3-5-15(10-16)11-20/h3-10,17H,12H2,1-2H3,(H,21,24)
InChIKeyNDCHBZAWXQVNOR-UHFFFAOYSA-N
XLogP3.45
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265064
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3,4,5-trimethoxybenzamide
CID 122264715
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzamide
CID 122244345
1-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-propan-2-ylurea
CID 122264987
3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335288
3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90499972
2,5-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 122264689
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide
CID 122264717
1-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(3-methylphenyl)urea
CID 122264994
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(4-nitrophenyl)acetamide
CID 122264666
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-N'-phenyloxamide
CID 122264911
4-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 122265502

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 3-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide (CID 122264606) is 3-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide is Cc1cc(C)n(C(CNC(=O)c2cccc(C#N)c2)c2cccs2)n1.
What is the InChIKey of 3-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide?
The InChIKey is NDCHBZAWXQVNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-13-9-14(2)23(22-13)17(18-7-4-8-25-18)12-21-19(24)16-6-3-5-15(10-16)11-20/h3-10,17H,12H2,1-2H3,(H,21,24).
What are the key properties of 3-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide?
3-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide has a molecular weight of 350.45 g/mol, XLogP of 3.45, 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-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 122264606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).