4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)butanamide

C19H21N3O2S — CID 100830827

IUPAC4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)butanamide
SMILESCOc1ccc(-c2cnn(CCCC(=O)NCc3cccs3)c2)cc1
InChIInChI=1S/C19H21N3O2S/c1-24-17-8-6-15(7-9-17)16-12-21-22(14-16)10-2-5-19(23)20-13-18-4-3-11-25-18/h3-4,6-9,11-12,14H,2,5,10,13H2,1H3,(H,20,23)
InChIKeyACXSUYHAJYKWCY-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.72
Rot. Bonds8

About 4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)butanamide

4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 100830827) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)butanamide
PubChem CID100830827
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)butanamide
SMILESCOc1ccc(-c2cnn(CCCC(=O)NCc3cccs3)c2)cc1
InChIInChI=1S/C19H21N3O2S/c1-24-17-8-6-15(7-9-17)16-12-21-22(14-16)10-2-5-19(23)20-13-18-4-3-11-25-18/h3-4,6-9,11-12,14H,2,5,10,13H2,1H3,(H,20,23)
InChIKeyACXSUYHAJYKWCY-UHFFFAOYSA-N
XLogP3.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(1-methylimidazol-2-yl)butanamide
CID 100830814
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30733019
1-(3-chloropropyl)-4-(4-methoxyphenyl)pyrazole
CID 22715717
2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 51126982
3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 51230163
N-[2-(4-phenylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 119102947
1-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 122244847
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135335
3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 20864956
6-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 22578782
1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole
CID 166333732
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8549305

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)butanamide (CID 100830827) is 4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)butanamide is COc1ccc(-c2cnn(CCCC(=O)NCc3cccs3)c2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is ACXSUYHAJYKWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-24-17-8-6-15(7-9-17)16-12-21-22(14-16)10-2-5-19(23)20-13-18-4-3-11-25-18/h3-4,6-9,11-12,14H,2,5,10,13H2,1H3,(H,20,23).
What are the key properties of 4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)butanamide?
4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 355.46 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 100830827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).