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

C20H23N5O2 — CID 122305368

IUPACN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Oc2ccc(-n3nc(C)cc3C)nn2)cc1
InChIInChI=1S/C20H23N5O2/c1-4-5-6-19(26)21-16-7-9-17(10-8-16)27-20-12-11-18(22-23-20)25-15(3)13-14(2)24-25/h7-13H,4-6H2,1-3H3,(H,21,26)
InChIKeyRWUJSNIKBHLJIK-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.20
Rot. Bonds7

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

N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pentanamide (PubChem CID 122305368) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pentanamide
PubChem CID122305368
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Oc2ccc(-n3nc(C)cc3C)nn2)cc1
InChIInChI=1S/C20H23N5O2/c1-4-5-6-19(26)21-16-7-9-17(10-8-16)27-20-12-11-18(22-23-20)25-15(3)13-14(2)24-25/h7-13H,4-6H2,1-3H3,(H,21,26)
InChIKeyRWUJSNIKBHLJIK-UHFFFAOYSA-N
XLogP4.20
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pentanamide?
The IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pentanamide (CID 122305368) is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pentanamide.
What is the SMILES notation for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pentanamide?
The canonical SMILES for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pentanamide is CCCCC(=O)Nc1ccc(Oc2ccc(-n3nc(C)cc3C)nn2)cc1.
What is the InChIKey of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pentanamide?
The InChIKey is RWUJSNIKBHLJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-4-5-6-19(26)21-16-7-9-17(10-8-16)27-20-12-11-18(22-23-20)25-15(3)13-14(2)24-25/h7-13H,4-6H2,1-3H3,(H,21,26).
What are the key properties of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pentanamide?
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pentanamide has a molecular weight of 365.44 g/mol, XLogP of 4.20, 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]pentanamide is sourced from PubChem (CID 122305368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).