2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide

C21H25N5O2 — CID 90518057

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
SMILESCc1cc(C)n(-c2ccc(=O)n(C(C)C(=O)NCCCc3ccccc3)n2)n1
InChIInChI=1S/C21H25N5O2/c1-15-14-16(2)25(23-15)19-11-12-20(27)26(24-19)17(3)21(28)22-13-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-12,14,17H,7,10,13H2,1-3H3,(H,22,28)
InChIKeyTVDWPYUNVBTKQU-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.36
Rot. Bonds7

About 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide

2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide (PubChem CID 90518057) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
PubChem CID90518057
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
SMILESCc1cc(C)n(-c2ccc(=O)n(C(C)C(=O)NCCCc3ccccc3)n2)n1
InChIInChI=1S/C21H25N5O2/c1-15-14-16(2)25(23-15)19-11-12-20(27)26(24-19)17(3)21(28)22-13-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-12,14,17H,7,10,13H2,1-3H3,(H,22,28)
InChIKeyTVDWPYUNVBTKQU-UHFFFAOYSA-N
XLogP2.36
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 90517873
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121121614
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 90518053
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)propanamide
CID 90517991
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 90517884
(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide
CID 97354779
N-(3,5-dichlorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 90517965
N-[4-(diethylamino)phenyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 90517883
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-pyridin-3-ylpropanamide
CID 90517905
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-phenylacetamide
CID 90538883
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 90517885
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[3-(methanesulfonamido)phenyl]propanamide
CID 56724636

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide (CID 90518057) is 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide is Cc1cc(C)n(-c2ccc(=O)n(C(C)C(=O)NCCCc3ccccc3)n2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide?
The InChIKey is TVDWPYUNVBTKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15-14-16(2)25(23-15)19-11-12-20(27)26(24-19)17(3)21(28)22-13-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-12,14,17H,7,10,13H2,1-3H3,(H,22,28).
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide?
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide has a molecular weight of 379.46 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 90518057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).