N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide

C24H25N5O2S — CID 24589595

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
SMILESCc1c(NC(=O)CCSc2ncc(-c3ccccc3)n2C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H25N5O2S/c1-17-22(23(31)29(28(17)3)19-12-8-5-9-13-19)26-21(30)14-15-32-24-25-16-20(27(24)2)18-10-6-4-7-11-18/h4-13,16H,14-15H2,1-3H3,(H,26,30)
InChIKeySTXVUOOKRPDAEI-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.01
Rot. Bonds7

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide (PubChem CID 24589595) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
PubChem CID24589595
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
SMILESCc1c(NC(=O)CCSc2ncc(-c3ccccc3)n2C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H25N5O2S/c1-17-22(23(31)29(28(17)3)19-12-8-5-9-13-19)26-21(30)14-15-32-24-25-16-20(27(24)2)18-10-6-4-7-11-18/h4-13,16H,14-15H2,1-3H3,(H,26,30)
InChIKeySTXVUOOKRPDAEI-UHFFFAOYSA-N
XLogP4.01
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylsulfanylpropanamide
CID 34673124
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3-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
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CID 40510747
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
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4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide (CID 24589595) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide is Cc1c(NC(=O)CCSc2ncc(-c3ccccc3)n2C)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
The InChIKey is STXVUOOKRPDAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-17-22(23(31)29(28(17)3)19-12-8-5-9-13-19)26-21(30)14-15-32-24-25-16-20(27(24)2)18-10-6-4-7-11-18/h4-13,16H,14-15H2,1-3H3,(H,26,30).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide has a molecular weight of 447.56 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 24589595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).