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

C24H25N5O2 — CID 122304795

IUPACN-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]adamantane-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H25N5O2/c30-23(24-13-16-10-17(14-24)12-18(11-16)15-24)26-19-2-4-20(5-3-19)31-22-7-6-21(27-28-22)29-9-1-8-25-29/h1-9,16-18H,10-15H2,(H,26,30)
InChIKeyXXTLYNNJVTWGCW-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.61
Rot. Bonds5

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

N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]adamantane-1-carboxamide (PubChem CID 122304795) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]adamantane-1-carboxamide
PubChem CID122304795
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]adamantane-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H25N5O2/c30-23(24-13-16-10-17(14-24)12-18(11-16)15-24)26-19-2-4-20(5-3-19)31-22-7-6-21(27-28-22)29-9-1-8-25-29/h1-9,16-18H,10-15H2,(H,26,30)
InChIKeyXXTLYNNJVTWGCW-UHFFFAOYSA-N
XLogP4.61
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide
CID 122304831
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
2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122304670
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
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
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzodioxole-5-carboxamide
CID 122304656
1-adamantyl-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121162974
2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304881
2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122304880

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]adamantane-1-carboxamide (CID 122304795) is N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]adamantane-1-carboxamide is O=C(Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]adamantane-1-carboxamide?
The InChIKey is XXTLYNNJVTWGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-23(24-13-16-10-17(14-24)12-18(11-16)15-24)26-19-2-4-20(5-3-19)31-22-7-6-21(27-28-22)29-9-1-8-25-29/h1-9,16-18H,10-15H2,(H,26,30).
What are the key properties of N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]adamantane-1-carboxamide?
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]adamantane-1-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 4.61, 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]adamantane-1-carboxamide is sourced from PubChem (CID 122304795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).