2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide

C16H16N4OS — CID 136534909

IUPAC2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESCc1sccc1CC(=O)Nc1cnn(Cc2ccccn2)c1
InChIInChI=1S/C16H16N4OS/c1-12-13(5-7-22-12)8-16(21)19-15-9-18-20(11-15)10-14-4-2-3-6-17-14/h2-7,9,11H,8,10H2,1H3,(H,19,21)
InChIKeyUAEVUXDCVNPTOL-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.88
Rot. Bonds5

About 2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide

2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide (PubChem CID 136534909) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide
PubChem CID136534909
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESCc1sccc1CC(=O)Nc1cnn(Cc2ccccn2)c1
InChIInChI=1S/C16H16N4OS/c1-12-13(5-7-22-12)8-16(21)19-15-9-18-20(11-15)10-14-4-2-3-6-17-14/h2-7,9,11H,8,10H2,1H3,(H,19,21)
InChIKeyUAEVUXDCVNPTOL-UHFFFAOYSA-N
XLogP2.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclobutyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide
CID 119047349
N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 86813351
(2S)-N-(2-ethylphenyl)-2-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]amino]propanamide
CID 129398862
3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide
CID 51104194
1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]urea
CID 99849044
(2S)-3-methyl-2-piperidin-1-yl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]butanamide
CID 99816503
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309
2-(3-fluorophenyl)-2-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]propanamide
CID 75372346
N-(1-benzylpyrazol-4-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 55948097
4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 167833760
1-(5-heptan-3-yl-1H-pyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]urea
CID 166226441
2-[4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pyrazol-1-yl]acetic acid
CID 107147137

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide (CID 136534909) is 2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide is Cc1sccc1CC(=O)Nc1cnn(Cc2ccccn2)c1.
What is the InChIKey of 2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide?
The InChIKey is UAEVUXDCVNPTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-12-13(5-7-22-12)8-16(21)19-15-9-18-20(11-15)10-14-4-2-3-6-17-14/h2-7,9,11H,8,10H2,1H3,(H,19,21).
What are the key properties of 2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide?
2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide has a molecular weight of 312.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylthiophen-3-yl)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 136534909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).