N-[[5-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide

C16H20N4O2S — CID 56779315

IUPACN-[[5-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CCCC2Cn2cccn2)s1
InChIInChI=1S/C16H20N4O2S/c1-12(21)17-10-14-5-6-15(23-14)16(22)20-9-2-4-13(20)11-19-8-3-7-18-19/h3,5-8,13H,2,4,9-11H2,1H3,(H,17,21)
InChIKeyVGNYOMYUVZVQBC-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.89
Rot. Bonds5

About N-[[5-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide

N-[[5-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide (PubChem CID 56779315) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[[5-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide
PubChem CID56779315
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[[5-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CCCC2Cn2cccn2)s1
InChIInChI=1S/C16H20N4O2S/c1-12(21)17-10-14-5-6-15(23-14)16(22)20-9-2-4-13(20)11-19-8-3-7-18-19/h3,5-8,13H,2,4,9-11H2,1H3,(H,17,21)
InChIKeyVGNYOMYUVZVQBC-UHFFFAOYSA-N
XLogP1.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylpyrazol-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603553
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
(2,5-dichlorothiophen-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603586
(4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95327696
(7-methyl-1-benzofuran-2-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95354054
1-[1-(5-ethylthiophene-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79540609
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95344675
(2-methylfuran-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95345998
[4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603955
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95344674
N-[3-oxo-1-phenyl-3-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]acetamide
CID 56779155
2-ethylsulfonyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603863

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide (CID 56779315) is N-[[5-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)N2CCCC2Cn2cccn2)s1.
What is the InChIKey of N-[[5-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is VGNYOMYUVZVQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-12(21)17-10-14-5-6-15(23-14)16(22)20-9-2-4-13(20)11-19-8-3-7-18-19/h3,5-8,13H,2,4,9-11H2,1H3,(H,17,21).
What are the key properties of N-[[5-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 56779315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).