4-phenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide

C26H27N5O2 — CID 122305786

IUPAC4-phenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide
SMILESCc1nn(-c2ccc(Oc3ccc(NC(=O)CCCc4ccccc4)cc3)nn2)c(C)c1C
InChIInChI=1S/C26H27N5O2/c1-18-19(2)30-31(20(18)3)24-16-17-26(29-28-24)33-23-14-12-22(13-15-23)27-25(32)11-7-10-21-8-5-4-6-9-21/h4-6,8-9,12-17H,7,10-11H2,1-3H3,(H,27,32)
InChIKeyNUHOVPMOOOOAKX-UHFFFAOYSA-N
MW441.54 g/mol
LogP5.34
Rot. Bonds8

About 4-phenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide

4-phenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide (PubChem CID 122305786) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 4-phenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide
PubChem CID122305786
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name4-phenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide
SMILESCc1nn(-c2ccc(Oc3ccc(NC(=O)CCCc4ccccc4)cc3)nn2)c(C)c1C
InChIInChI=1S/C26H27N5O2/c1-18-19(2)30-31(20(18)3)24-16-17-26(29-28-24)33-23-14-12-22(13-15-23)27-25(32)11-7-10-21-8-5-4-6-9-21/h4-6,8-9,12-17H,7,10-11H2,1-3H3,(H,27,32)
InChIKeyNUHOVPMOOOOAKX-UHFFFAOYSA-N
XLogP5.34
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.54
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305742
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide
CID 122306542
2-(4-methoxyphenoxy)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305937
2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305771
2-bromo-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306101
4-ethyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305793
3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122307676
4-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiadiazole-5-carboxamide
CID 122305906
(E)-3-(2-chlorophenyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]prop-2-enamide
CID 122305918
4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide
CID 121112542
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pentanamide
CID 122307637
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pentanamide
CID 122305368

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide?
The IUPAC name of 4-phenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide (CID 122305786) is 4-phenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide.
What is the SMILES notation for 4-phenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide?
The canonical SMILES for 4-phenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide is Cc1nn(-c2ccc(Oc3ccc(NC(=O)CCCc4ccccc4)cc3)nn2)c(C)c1C.
What is the InChIKey of 4-phenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide?
The InChIKey is NUHOVPMOOOOAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-18-19(2)30-31(20(18)3)24-16-17-26(29-28-24)33-23-14-12-22(13-15-23)27-25(32)11-7-10-21-8-5-4-6-9-21/h4-6,8-9,12-17H,7,10-11H2,1-3H3,(H,27,32).
What are the key properties of 4-phenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide?
4-phenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide has a molecular weight of 441.54 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]butanamide is sourced from PubChem (CID 122305786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).