N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide

C25H25N5O2 — CID 122305435

IUPACN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(Oc2ccc(-n3nc(C)cc3C)nn2)cc1)c1ccccc1
InChIInChI=1S/C25H25N5O2/c1-4-22(19-8-6-5-7-9-19)25(31)26-20-10-12-21(13-11-20)32-24-15-14-23(27-28-24)30-18(3)16-17(2)29-30/h5-16,22H,4H2,1-3H3,(H,26,31)
InChIKeyJGPASEQFEAJLOO-UHFFFAOYSA-N
MW427.51 g/mol
LogP5.20
Rot. Bonds7

About N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide

N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide (PubChem CID 122305435) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide
PubChem CID122305435
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(Oc2ccc(-n3nc(C)cc3C)nn2)cc1)c1ccccc1
InChIInChI=1S/C25H25N5O2/c1-4-22(19-8-6-5-7-9-19)25(31)26-20-10-12-21(13-11-20)32-24-15-14-23(27-28-24)30-18(3)16-17(2)29-30/h5-16,22H,4H2,1-3H3,(H,26,31)
InChIKeyJGPASEQFEAJLOO-UHFFFAOYSA-N
XLogP5.20
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide
CID 122305057
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122305588
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pentanamide
CID 122305368
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(2-fluorophenyl)urea
CID 122305455
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 122305406
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]furan-2-carboxamide
CID 122305413
1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305448
1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305444
4-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305395
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 122305428
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methoxy-2-methylphenyl)urea
CID 122305447
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-thiophen-2-ylurea
CID 122305717

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide?
The IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide (CID 122305435) is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide.
What is the SMILES notation for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide?
The canonical SMILES for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide is CCC(C(=O)Nc1ccc(Oc2ccc(-n3nc(C)cc3C)nn2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide?
The InChIKey is JGPASEQFEAJLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-4-22(19-8-6-5-7-9-19)25(31)26-20-10-12-21(13-11-20)32-24-15-14-23(27-28-24)30-18(3)16-17(2)29-30/h5-16,22H,4H2,1-3H3,(H,26,31).
What are the key properties of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide?
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide has a molecular weight of 427.51 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide is sourced from PubChem (CID 122305435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).