2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide

C16H15N5O2 — CID 30607368

IUPAC2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
SMILESNC(=O)Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O
InChIInChI=1S/C16H15N5O2/c17-13(22)9-20-16(23)15-12(14(19-20)10-6-7-10)8-18-21(15)11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H2,17,22)
InChIKeyHFQCSSZNIIXYTE-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.94
Rot. Bonds4

About 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide

2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide (PubChem CID 30607368) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
PubChem CID30607368
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
SMILESNC(=O)Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O
InChIInChI=1S/C16H15N5O2/c17-13(22)9-20-16(23)15-12(14(19-20)10-6-7-10)8-18-21(15)11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H2,17,22)
InChIKeyHFQCSSZNIIXYTE-UHFFFAOYSA-N
XLogP0.94
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetate
CID 30607424
4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 30607360
4-cyclopropyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 30607364
2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-methylacetamide
CID 30607501
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide
CID 30607406
2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-cyclohexylacetamide
CID 30607470
4-[[2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetyl]amino]benzamide
CID 30607669
2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-propylacetamide
CID 30607744
2-[1-(3-chlorophenyl)-4-cyclopropyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-methoxyphenyl)acetamide
CID 30607466
N-(4-acetylphenyl)-2-[4-cyclopropyl-1-(4-fluorophenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 30607565
2-[4-cyclopropyl-1-(3,4-dimethylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(furan-2-ylmethyl)acetamide
CID 30607742
2-[4-cyclopropyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide
CID 30607653

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide?
The IUPAC name of 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide (CID 30607368) is 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide?
The canonical SMILES for 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide is NC(=O)Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O.
What is the InChIKey of 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide?
The InChIKey is HFQCSSZNIIXYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c17-13(22)9-20-16(23)15-12(14(19-20)10-6-7-10)8-18-21(15)11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H2,17,22).
What are the key properties of 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide?
2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide has a molecular weight of 309.33 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-7-oxo-1-phenylpyrazolo[4,5-d]pyridazin-6-yl)acetamide is sourced from PubChem (CID 30607368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).