2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide

C19H23N5O2 — CID 16846748

IUPAC2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1nc(C)c2cnn(-c3ccc(C)cc3C)c2c1=O
InChIInChI=1S/C19H23N5O2/c1-5-8-20-17(25)11-23-19(26)18-15(14(4)22-23)10-21-24(18)16-7-6-12(2)9-13(16)3/h6-7,9-10H,5,8,11H2,1-4H3,(H,20,25)
InChIKeyODKWNMWGIBARRX-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.03
Rot. Bonds5

About 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide

2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide (PubChem CID 16846748) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide
PubChem CID16846748
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1nc(C)c2cnn(-c3ccc(C)cc3C)c2c1=O
InChIInChI=1S/C19H23N5O2/c1-5-8-20-17(25)11-23-19(26)18-15(14(4)22-23)10-21-24(18)16-7-6-12(2)9-13(16)3/h6-7,9-10H,5,8,11H2,1-4H3,(H,20,25)
InChIKeyODKWNMWGIBARRX-UHFFFAOYSA-N
XLogP2.03
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methylphenyl)acetamide
CID 16846665
2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(2-fluorophenyl)acetamide
CID 16846672
6-benzyl-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846719
ethyl 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]propanoate
CID 16846737
2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(2-methoxyethyl)acetamide
CID 16846892
2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide
CID 30607744
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(2,4-dimethylphenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846658
2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N,N-di(propan-2-yl)acetamide
CID 30607724
N-(2,4-difluorophenyl)-2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846534
2-[4-cyclopropyl-1-(2,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(3-methoxyphenyl)acetamide
CID 30607712
2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16846564
ethyl 2-[[2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzoate
CID 16846551

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide (CID 16846748) is 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide is CCCNC(=O)Cn1nc(C)c2cnn(-c3ccc(C)cc3C)c2c1=O.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide?
The InChIKey is ODKWNMWGIBARRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-5-8-20-17(25)11-23-19(26)18-15(14(4)22-23)10-21-24(18)16-7-6-12(2)9-13(16)3/h6-7,9-10H,5,8,11H2,1-4H3,(H,20,25).
What are the key properties of 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide?
2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide has a molecular weight of 353.43 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide is sourced from PubChem (CID 16846748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).