6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;oxane

C20H22ClN5O3 — CID 142411209

IUPAC6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;oxane
SMILESC1CCOCC1.Cn1cc(-n2nc(-c3ccc(Cl)cc3)cc(C(N)=O)c2=O)cn1
InChIInChI=1S/C15H12ClN5O2.C5H10O/c1-20-8-11(7-18-20)21-15(23)12(14(17)22)6-13(19-21)9-2-4-10(16)5-3-9;1-2-4-6-5-3-1/h2-8H,1H3,(H2,17,22);1-5H2
InChIKeyHXJVWKRGVIPACU-UHFFFAOYSA-N
MW415.88 g/mol
LogP2.57
Rot. Bonds3

About 6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;oxane

6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;oxane (PubChem CID 142411209) has the molecular formula C20H22ClN5O3 and a molecular weight of 415.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;oxane.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;oxane
PubChem CID142411209
Molecular FormulaC20H22ClN5O3
Molecular Weight415.88 g/mol
Exact Mass415.14
IUPAC Name6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;oxane
SMILESC1CCOCC1.Cn1cc(-n2nc(-c3ccc(Cl)cc3)cc(C(N)=O)c2=O)cn1
InChIInChI=1S/C15H12ClN5O2.C5H10O/c1-20-8-11(7-18-20)21-15(23)12(14(17)22)6-13(19-21)9-2-4-10(16)5-3-9;1-2-4-6-5-3-1/h2-8H,1H3,(H2,17,22);1-5H2
InChIKeyHXJVWKRGVIPACU-UHFFFAOYSA-N
XLogP2.57
TPSA105.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;oxane?
The IUPAC name of 6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;oxane (CID 142411209) is 6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;oxane.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;oxane?
The canonical SMILES for 6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;oxane is C1CCOCC1.Cn1cc(-n2nc(-c3ccc(Cl)cc3)cc(C(N)=O)c2=O)cn1.
What is the InChIKey of 6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;oxane?
The InChIKey is HXJVWKRGVIPACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2.C5H10O/c1-20-8-11(7-18-20)21-15(23)12(14(17)22)6-13(19-21)9-2-4-10(16)5-3-9;1-2-4-6-5-3-1/h2-8H,1H3,(H2,17,22);1-5H2.
What are the key properties of 6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;oxane?
6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;oxane has a molecular weight of 415.88 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;oxane is sourced from PubChem (CID 142411209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).