3-(6-methyl-7-oxopyrazolo[4,5-d]pyridazin-1-yl)-N-phenylpropanamide

C15H15N5O2 — CID 75389472

IUPAC3-(6-methyl-7-oxopyrazolo[4,5-d]pyridazin-1-yl)-N-phenylpropanamide
SMILESCn1ncc2cnn(CCC(=O)Nc3ccccc3)c2c1=O
InChIInChI=1S/C15H15N5O2/c1-19-15(22)14-11(9-16-19)10-17-20(14)8-7-13(21)18-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,21)
InChIKeyUPAXMPXNRQRJMM-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.16
Rot. Bonds4

About 3-(6-methyl-7-oxopyrazolo[4,5-d]pyridazin-1-yl)-N-phenylpropanamide

3-(6-methyl-7-oxopyrazolo[4,5-d]pyridazin-1-yl)-N-phenylpropanamide (PubChem CID 75389472) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-(6-methyl-7-oxopyrazolo[4,5-d]pyridazin-1-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(6-methyl-7-oxopyrazolo[4,5-d]pyridazin-1-yl)-N-phenylpropanamide
PubChem CID75389472
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name3-(6-methyl-7-oxopyrazolo[4,5-d]pyridazin-1-yl)-N-phenylpropanamide
SMILESCn1ncc2cnn(CCC(=O)Nc3ccccc3)c2c1=O
InChIInChI=1S/C15H15N5O2/c1-19-15(22)14-11(9-16-19)10-17-20(14)8-7-13(21)18-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,21)
InChIKeyUPAXMPXNRQRJMM-UHFFFAOYSA-N
XLogP1.16
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-phenylpropanamide
CID 17492925
3-(5-methyl-4-nitropyrazol-1-yl)-N-(4-phenylphenyl)propanamide
CID 19568070
1-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one
CID 75476502
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 19559927
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097698
2-[3-oxo-3-(4-phenylanilino)propyl]pyrazole-3-carboxylic acid
CID 19492142
N-(4-anilinophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 29265855
1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066008
3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 16882221
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-7-oxopyrazolo[4,5-d]pyridazin-1-yl)-N-phenylpropanamide?
The IUPAC name of 3-(6-methyl-7-oxopyrazolo[4,5-d]pyridazin-1-yl)-N-phenylpropanamide (CID 75389472) is 3-(6-methyl-7-oxopyrazolo[4,5-d]pyridazin-1-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-(6-methyl-7-oxopyrazolo[4,5-d]pyridazin-1-yl)-N-phenylpropanamide?
The canonical SMILES for 3-(6-methyl-7-oxopyrazolo[4,5-d]pyridazin-1-yl)-N-phenylpropanamide is Cn1ncc2cnn(CCC(=O)Nc3ccccc3)c2c1=O.
What is the InChIKey of 3-(6-methyl-7-oxopyrazolo[4,5-d]pyridazin-1-yl)-N-phenylpropanamide?
The InChIKey is UPAXMPXNRQRJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-19-15(22)14-11(9-16-19)10-17-20(14)8-7-13(21)18-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,21).
What are the key properties of 3-(6-methyl-7-oxopyrazolo[4,5-d]pyridazin-1-yl)-N-phenylpropanamide?
3-(6-methyl-7-oxopyrazolo[4,5-d]pyridazin-1-yl)-N-phenylpropanamide has a molecular weight of 297.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-7-oxopyrazolo[4,5-d]pyridazin-1-yl)-N-phenylpropanamide is sourced from PubChem (CID 75389472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).