N-(4-cyano-1-phenylpyrazol-5-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide

C20H19N5OS — CID 47811260

IUPACN-(4-cyano-1-phenylpyrazol-5-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC1c1cccs1
InChIInChI=1S/C20H19N5OS/c21-12-15-13-22-25(16-6-2-1-3-7-16)20(15)23-19(26)14-24-10-4-8-17(24)18-9-5-11-27-18/h1-3,5-7,9,11,13,17H,4,8,10,14H2,(H,23,26)
InChIKeyFSGJAJUJBFGGBA-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.58
Rot. Bonds5

About N-(4-cyano-1-phenylpyrazol-5-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide

N-(4-cyano-1-phenylpyrazol-5-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide (PubChem CID 47811260) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(4-cyano-1-phenylpyrazol-5-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
PubChem CID47811260
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC1c1cccs1
InChIInChI=1S/C20H19N5OS/c21-12-15-13-22-25(16-6-2-1-3-7-16)20(15)23-19(26)14-24-10-4-8-17(24)18-9-5-11-27-18/h1-3,5-7,9,11,13,17H,4,8,10,14H2,(H,23,26)
InChIKeyFSGJAJUJBFGGBA-UHFFFAOYSA-N
XLogP3.58
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyano-1-phenylpyrazol-5-yl)-2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]piperidin-1-yl]acetamide
CID 124742043
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 47811081
N-(3-chloro-4-cyanophenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9445827
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446245
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446247
N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17422439
N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446407
N-(4-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446431
N-(2-methoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17436135
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 11923842
N-[2,5-dimethoxy-4-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]phenyl]benzamide
CID 41187714
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 18088059

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide (CID 47811260) is N-(4-cyano-1-phenylpyrazol-5-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-cyano-1-phenylpyrazol-5-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-cyano-1-phenylpyrazol-5-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide is N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC1c1cccs1.
What is the InChIKey of N-(4-cyano-1-phenylpyrazol-5-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide?
The InChIKey is FSGJAJUJBFGGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c21-12-15-13-22-25(16-6-2-1-3-7-16)20(15)23-19(26)14-24-10-4-8-17(24)18-9-5-11-27-18/h1-3,5-7,9,11,13,17H,4,8,10,14H2,(H,23,26).
What are the key properties of N-(4-cyano-1-phenylpyrazol-5-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide?
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide has a molecular weight of 377.47 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-phenylpyrazol-5-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 47811260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).