N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide

C23H19N5OS — CID 46301764

IUPACN-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(=O)Nc2c(C#N)cnn2-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H19N5OS/c1-15-12-21(26-20-11-7-6-10-19(15)20)30-16(2)23(29)27-22-17(13-24)14-25-28(22)18-8-4-3-5-9-18/h3-12,14,16H,1-2H3,(H,27,29)
InChIKeyZFQFILNBEIIAIC-UHFFFAOYSA-N
MW413.51 g/mol
LogP4.72
Rot. Bonds5

About N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide

N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide (PubChem CID 46301764) has the molecular formula C23H19N5OS and a molecular weight of 413.51 g/mol. Its IUPAC name is N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide
PubChem CID46301764
Molecular FormulaC23H19N5OS
Molecular Weight413.51 g/mol
Exact Mass413.13
IUPAC NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide
SMILESCc1cc(SC(C)C(=O)Nc2c(C#N)cnn2-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H19N5OS/c1-15-12-21(26-20-11-7-6-10-19(15)20)30-16(2)23(29)27-22-17(13-24)14-25-28(22)18-8-4-3-5-9-18/h3-12,14,16H,1-2H3,(H,27,29)
InChIKeyZFQFILNBEIIAIC-UHFFFAOYSA-N
XLogP4.72
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyano-1-phenylpyrazol-5-yl)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304853
N-(4-cyano-1-methylpyrazol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 46301929
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 71899257
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 41084416
(2R)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41041760
(2S)-2-(4-methylquinolin-2-yl)sulfanyl-N-(2,4,5-trichlorophenyl)propanamide
CID 2420043
N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 108769497
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 3557418
N-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 46621109
2-(4-bromophenyl)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]acetamide
CID 108747436
(2S)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 42272488
2-(4-bromo-5-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide
CID 19535569

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide (CID 46301764) is N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide is Cc1cc(SC(C)C(=O)Nc2c(C#N)cnn2-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide?
The InChIKey is ZFQFILNBEIIAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5OS/c1-15-12-21(26-20-11-7-6-10-19(15)20)30-16(2)23(29)27-22-17(13-24)14-25-28(22)18-8-4-3-5-9-18/h3-12,14,16H,1-2H3,(H,27,29).
What are the key properties of N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide?
N-(4-cyano-1-phenylpyrazol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide has a molecular weight of 413.51 g/mol, XLogP of 4.72, 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-(4-methylquinolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 46301764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).