2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide

C18H17N5O3 — CID 122278606

IUPAC2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide
SMILESO=C(Cn1nc(C2CC2)ccc1=O)Nc1cc(=O)n(-c2ccccc2)[nH]1
InChIInChI=1S/C18H17N5O3/c24-16(11-22-17(25)9-8-14(20-22)12-6-7-12)19-15-10-18(26)23(21-15)13-4-2-1-3-5-13/h1-5,8-10,12,21H,6-7,11H2,(H,19,24)
InChIKeyZXKZSJYJXPBMLZ-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.24
Rot. Bonds5

About 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide (PubChem CID 122278606) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide
PubChem CID122278606
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide
SMILESO=C(Cn1nc(C2CC2)ccc1=O)Nc1cc(=O)n(-c2ccccc2)[nH]1
InChIInChI=1S/C18H17N5O3/c24-16(11-22-17(25)9-8-14(20-22)12-6-7-12)19-15-10-18(26)23(21-15)13-4-2-1-3-5-13/h1-5,8-10,12,21H,6-7,11H2,(H,19,24)
InChIKeyZXKZSJYJXPBMLZ-UHFFFAOYSA-N
XLogP1.24
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide (CID 122278606) is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide is O=C(Cn1nc(C2CC2)ccc1=O)Nc1cc(=O)n(-c2ccccc2)[nH]1.
What is the InChIKey of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide?
The InChIKey is ZXKZSJYJXPBMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-16(11-22-17(25)9-8-14(20-22)12-6-7-12)19-15-10-18(26)23(21-15)13-4-2-1-3-5-13/h1-5,8-10,12,21H,6-7,11H2,(H,19,24).
What are the key properties of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide?
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide has a molecular weight of 351.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 122278606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).