3,5-diacetamido-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide

C24H25N7O3 — CID 55578965

IUPAC3,5-diacetamido-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1
InChIInChI=1S/C24H25N7O3/c1-15(32)28-18-11-17(12-19(13-18)29-16(2)33)24(34)27-10-6-9-22-21(14-25)23(26)31(30-22)20-7-4-3-5-8-20/h3-5,7-8,11-13H,6,9-10,26H2,1-2H3,(H,27,34)(H,28,32)(H,29,33)
InChIKeyZWBFDXJOYWMABW-UHFFFAOYSA-N
MW459.51 g/mol
LogP2.61
Rot. Bonds8

About 3,5-diacetamido-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide

3,5-diacetamido-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide (PubChem CID 55578965) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is 3,5-diacetamido-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide
PubChem CID55578965
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC Name3,5-diacetamido-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1
InChIInChI=1S/C24H25N7O3/c1-15(32)28-18-11-17(12-19(13-18)29-16(2)33)24(34)27-10-6-9-22-21(14-25)23(26)31(30-22)20-7-4-3-5-8-20/h3-5,7-8,11-13H,6,9-10,26H2,1-2H3,(H,27,34)(H,28,32)(H,29,33)
InChIKeyZWBFDXJOYWMABW-UHFFFAOYSA-N
XLogP2.61
TPSA154.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 46411593
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-nitrobenzamide
CID 38784646
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide
CID 38784665
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 38307287
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 46438991
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-phenylmethoxypropanamide
CID 55651365
(E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(3-methylphenyl)prop-2-enamide
CID 38772287
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 55677783
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 38784588
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46438956
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 55578067
2-amino-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 166391694

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide?
The IUPAC name of 3,5-diacetamido-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide (CID 55578965) is 3,5-diacetamido-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide.
What is the SMILES notation for 3,5-diacetamido-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide?
The canonical SMILES for 3,5-diacetamido-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1.
What is the InChIKey of 3,5-diacetamido-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide?
The InChIKey is ZWBFDXJOYWMABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-15(32)28-18-11-17(12-19(13-18)29-16(2)33)24(34)27-10-6-9-22-21(14-25)23(26)31(30-22)20-7-4-3-5-8-20/h3-5,7-8,11-13H,6,9-10,26H2,1-2H3,(H,27,34)(H,28,32)(H,29,33).
What are the key properties of 3,5-diacetamido-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide?
3,5-diacetamido-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide has a molecular weight of 459.51 g/mol, XLogP of 2.61, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide is sourced from PubChem (CID 55578965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).