3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide

C21H17N5O3 — CID 122304627

IUPAC3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Oc3ccc(-n4cccn4)nn3)cc2)c1
InChIInChI=1S/C21H17N5O3/c1-28-18-5-2-4-15(14-18)21(27)23-16-6-8-17(9-7-16)29-20-11-10-19(24-25-20)26-13-3-12-22-26/h2-14H,1H3,(H,23,27)
InChIKeyKNERRIDRVDHTIC-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.72
Rot. Bonds6

About 3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide

3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide (PubChem CID 122304627) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
PubChem CID122304627
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC Name3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Oc3ccc(-n4cccn4)nn3)cc2)c1
InChIInChI=1S/C21H17N5O3/c1-28-18-5-2-4-15(14-18)21(27)23-16-6-8-17(9-7-16)29-20-11-10-19(24-25-20)26-13-3-12-22-26/h2-14H,1H3,(H,23,27)
InChIKeyKNERRIDRVDHTIC-UHFFFAOYSA-N
XLogP3.72
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304881
3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-methoxybenzamide
CID 122306895
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzodioxole-5-carboxamide
CID 122304656
5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304662
1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide
CID 122304842
3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307912
N-(4-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698189
2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122304664
1-(5-chloro-2-methoxyphenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122304687
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide
CID 122304831
N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698188

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide (CID 122304627) is 3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide is COc1cccc(C(=O)Nc2ccc(Oc3ccc(-n4cccn4)nn3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The InChIKey is KNERRIDRVDHTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-28-18-5-2-4-15(14-18)21(27)23-16-6-8-17(9-7-16)29-20-11-10-19(24-25-20)26-13-3-12-22-26/h2-14H,1H3,(H,23,27).
What are the key properties of 3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide has a molecular weight of 387.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide is sourced from PubChem (CID 122304627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).