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

C18H17N5O2 — CID 122304831

IUPACN-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1)C1CCC1
InChIInChI=1S/C18H17N5O2/c24-18(13-3-1-4-13)20-14-5-7-15(8-6-14)25-17-10-9-16(21-22-17)23-12-2-11-19-23/h2,5-13H,1,3-4H2,(H,20,24)
InChIKeyODXYKAMMZVHXKU-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.19
Rot. Bonds5

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

N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide (PubChem CID 122304831) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide
PubChem CID122304831
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1)C1CCC1
InChIInChI=1S/C18H17N5O2/c24-18(13-3-1-4-13)20-14-5-7-15(8-6-14)25-17-10-9-16(21-22-17)23-12-2-11-19-23/h2,5-13H,1,3-4H2,(H,20,24)
InChIKeyODXYKAMMZVHXKU-UHFFFAOYSA-N
XLogP3.19
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]oxolane-3-carboxamide
CID 122304865
3-cyclopentyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122304794
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]cyclopropanecarboxamide
CID 122307702
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]adamantane-1-carboxamide
CID 122304795
N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]cyclopropanecarboxamide
CID 122310015
2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122304670
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514077
1-(2-fluorophenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122304699
1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide
CID 122304842
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514429
2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122304664
3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304627

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide (CID 122304831) is N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide is O=C(Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1)C1CCC1.
What is the InChIKey of N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide?
The InChIKey is ODXYKAMMZVHXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-18(13-3-1-4-13)20-14-5-7-15(8-6-14)25-17-10-9-16(21-22-17)23-12-2-11-19-23/h2,5-13H,1,3-4H2,(H,20,24).
What are the key properties of N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide?
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide has a molecular weight of 335.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide is sourced from PubChem (CID 122304831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).