N-(3,5-dichlorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide

C18H17Cl2N5O2 — CID 90517965

IUPACN-(3,5-dichlorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1cc(C)n(-c2ccc(=O)n(C(C)C(=O)Nc3cc(Cl)cc(Cl)c3)n2)n1
InChIInChI=1S/C18H17Cl2N5O2/c1-10-6-11(2)24(22-10)16-4-5-17(26)25(23-16)12(3)18(27)21-15-8-13(19)7-14(20)9-15/h4-9,12H,1-3H3,(H,21,27)
InChIKeyVUNURZWZILJZOC-UHFFFAOYSA-N
MW406.27 g/mol
LogP3.55
Rot. Bonds4

About N-(3,5-dichlorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide

N-(3,5-dichlorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 90517965) has the molecular formula C18H17Cl2N5O2 and a molecular weight of 406.27 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
PubChem CID90517965
Molecular FormulaC18H17Cl2N5O2
Molecular Weight406.27 g/mol
Exact Mass405.08
IUPAC NameN-(3,5-dichlorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1cc(C)n(-c2ccc(=O)n(C(C)C(=O)Nc3cc(Cl)cc(Cl)c3)n2)n1
InChIInChI=1S/C18H17Cl2N5O2/c1-10-6-11(2)24(22-10)16-4-5-17(26)25(23-16)12(3)18(27)21-15-8-13(19)7-14(20)9-15/h4-9,12H,1-3H3,(H,21,27)
InChIKeyVUNURZWZILJZOC-UHFFFAOYSA-N
XLogP3.55
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(diethylamino)phenyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 90517883
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-pyridin-3-ylpropanamide
CID 90517905
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 90517885
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[3-(methanesulfonamido)phenyl]propanamide
CID 56724636
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)propanamide
CID 90517991
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 90517884
N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 90517903
(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]propanamide
CID 97354779
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
CID 90518057
N-(2-cyano-4-nitrophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 90517992
N-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079717
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 90518053

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide (CID 90517965) is N-(3,5-dichlorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide is Cc1cc(C)n(-c2ccc(=O)n(C(C)C(=O)Nc3cc(Cl)cc(Cl)c3)n2)n1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is VUNURZWZILJZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O2/c1-10-6-11(2)24(22-10)16-4-5-17(26)25(23-16)12(3)18(27)21-15-8-13(19)7-14(20)9-15/h4-9,12H,1-3H3,(H,21,27).
What are the key properties of N-(3,5-dichlorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide?
N-(3,5-dichlorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 406.27 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 90517965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).