N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C25H25N5O2 — CID 55840453

IUPACN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)Cn3nc(-c4ccccc4)ccc3=O)cc2)n1
InChIInChI=1S/C25H25N5O2/c1-18-16-19(2)30(27-18)22-10-8-20(9-11-22)14-15-26-24(31)17-29-25(32)13-12-23(28-29)21-6-4-3-5-7-21/h3-13,16H,14-15,17H2,1-2H3,(H,26,31)
InChIKeyFFPHYFIUTMZDPC-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.07
Rot. Bonds7

About N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 55840453) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID55840453
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)Cn3nc(-c4ccccc4)ccc3=O)cc2)n1
InChIInChI=1S/C25H25N5O2/c1-18-16-19(2)30(27-18)22-10-8-20(9-11-22)14-15-26-24(31)17-29-25(32)13-12-23(28-29)21-6-4-3-5-7-21/h3-13,16H,14-15,17H2,1-2H3,(H,26,31)
InChIKeyFFPHYFIUTMZDPC-UHFFFAOYSA-N
XLogP3.07
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6620516
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7664506
2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7658916
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 111429019
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
CID 55707001
N-[2-(4-chlorophenyl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 5156985
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 46476578
N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053346
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7666195
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 121050686

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 55840453) is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is Cc1cc(C)n(-c2ccc(CCNC(=O)Cn3nc(-c4ccccc4)ccc3=O)cc2)n1.
What is the InChIKey of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is FFPHYFIUTMZDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-18-16-19(2)30(27-18)22-10-8-20(9-11-22)14-15-26-24(31)17-29-25(32)13-12-23(28-29)21-6-4-3-5-7-21/h3-13,16H,14-15,17H2,1-2H3,(H,26,31).
What are the key properties of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 427.51 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 55840453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).