N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C19H18N6O2 — CID 51127361

IUPACN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)n(CCC#N)n1
InChIInChI=1S/C19H18N6O2/c1-14-12-17(24(22-14)11-5-10-20)21-18(26)13-25-19(27)9-8-16(23-25)15-6-3-2-4-7-15/h2-4,6-9,12H,5,11,13H2,1H3,(H,21,26)
InChIKeySYUAZFBTLKFOSP-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.97
Rot. Bonds6

About N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 51127361) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID51127361
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)n(CCC#N)n1
InChIInChI=1S/C19H18N6O2/c1-14-12-17(24(22-14)11-5-10-20)21-18(26)13-25-19(27)9-8-16(23-25)15-6-3-2-4-7-15/h2-4,6-9,12H,5,11,13H2,1H3,(H,21,26)
InChIKeySYUAZFBTLKFOSP-UHFFFAOYSA-N
XLogP1.97
TPSA105.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 51127361) is N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is Cc1cc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)n(CCC#N)n1.
What is the InChIKey of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is SYUAZFBTLKFOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-14-12-17(24(22-14)11-5-10-20)21-18(26)13-25-19(27)9-8-16(23-25)15-6-3-2-4-7-15/h2-4,6-9,12H,5,11,13H2,1H3,(H,21,26).
What are the key properties of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 362.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 51127361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).