N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzodioxole-5-carboxamide

C21H15N5O4 — CID 122304656

IUPACN-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H15N5O4/c27-21(14-2-7-17-18(12-14)29-13-28-17)23-15-3-5-16(6-4-15)30-20-9-8-19(24-25-20)26-11-1-10-22-26/h1-12H,13H2,(H,23,27)
InChIKeyCHKJDBREKWICQR-UHFFFAOYSA-N
MW401.38 g/mol
LogP3.44
Rot. Bonds5

About N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzodioxole-5-carboxamide

N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 122304656) has the molecular formula C21H15N5O4 and a molecular weight of 401.38 g/mol. Its IUPAC name is N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID122304656
Molecular FormulaC21H15N5O4
Molecular Weight401.38 g/mol
Exact Mass401.11
IUPAC NameN-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H15N5O4/c27-21(14-2-7-17-18(12-14)29-13-28-17)23-15-3-5-16(6-4-15)30-20-9-8-19(24-25-20)26-11-1-10-22-26/h1-12H,13H2,(H,23,27)
InChIKeyCHKJDBREKWICQR-UHFFFAOYSA-N
XLogP3.44
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304627
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,3-benzodioxole-5-carboxamide
CID 122305790
1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide
CID 122304842
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide
CID 122304831
5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304662
2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304881
2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122304670
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]oxolane-3-carboxamide
CID 122304865
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide
CID 122305024
3-cyclopentyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122304794
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]adamantane-1-carboxamide
CID 122304795
1-(2-fluorophenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122304699

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzodioxole-5-carboxamide (CID 122304656) is N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is CHKJDBREKWICQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O4/c27-21(14-2-7-17-18(12-14)29-13-28-17)23-15-3-5-16(6-4-15)30-20-9-8-19(24-25-20)26-11-1-10-22-26/h1-12H,13H2,(H,23,27).
What are the key properties of N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzodioxole-5-carboxamide?
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 401.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 122304656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).