1-methyl-3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide

C25H20N6O2 — CID 122307817

IUPAC1-methyl-3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1
InChIInChI=1S/C25H20N6O2/c1-30-22(17-21(29-30)18-7-3-2-4-8-18)25(32)26-19-9-11-20(12-10-19)33-24-14-13-23(27-28-24)31-15-5-6-16-31/h2-17H,1H3,(H,26,32)
InChIKeySCWBGNYFMWGEOT-UHFFFAOYSA-N
MW436.48 g/mol
LogP4.71
Rot. Bonds6

About 1-methyl-3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide

1-methyl-3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide (PubChem CID 122307817) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 1-methyl-3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide
PubChem CID122307817
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC Name1-methyl-3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1
InChIInChI=1S/C25H20N6O2/c1-30-22(17-21(29-30)18-7-3-2-4-8-18)25(32)26-19-9-11-20(12-10-19)33-24-14-13-23(27-28-24)31-15-5-6-16-31/h2-17H,1H3,(H,26,32)
InChIKeySCWBGNYFMWGEOT-UHFFFAOYSA-N
XLogP4.71
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide
CID 122307863
3-(4-fluorophenyl)-1-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide
CID 122306729
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122307107
2-phenylmethoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122307897
2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307665
1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122307713
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]furan-2-carboxamide
CID 122307682
3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122307676
3,5-dinitro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122308001
3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrazole-5-carboxamide
CID 122309042
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide
CID 122307854
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pentanamide
CID 122307637

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide (CID 122307817) is 1-methyl-3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide is Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1.
What is the InChIKey of 1-methyl-3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide?
The InChIKey is SCWBGNYFMWGEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-30-22(17-21(29-30)18-7-3-2-4-8-18)25(32)26-19-9-11-20(12-10-19)33-24-14-13-23(27-28-24)31-15-5-6-16-31/h2-17H,1H3,(H,26,32).
What are the key properties of 1-methyl-3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide?
1-methyl-3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 122307817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).