3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine

C18H20N4O2 — CID 31125984

IUPAC3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine
SMILESCOCCCn1ccc(-c2cccc(-c3ccc(OC)nn3)c2)n1
InChIInChI=1S/C18H20N4O2/c1-23-12-4-10-22-11-9-17(21-22)15-6-3-5-14(13-15)16-7-8-18(24-2)20-19-16/h3,5-9,11,13H,4,10,12H2,1-2H3
InChIKeyVFTNSYCHANQUMT-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.05
Rot. Bonds7

About 3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine

3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine (PubChem CID 31125984) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine.

Molecular Properties

Compound Name3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine
PubChem CID31125984
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine
SMILESCOCCCn1ccc(-c2cccc(-c3ccc(OC)nn3)c2)n1
InChIInChI=1S/C18H20N4O2/c1-23-12-4-10-22-11-9-17(21-22)15-6-3-5-14(13-15)16-7-8-18(24-2)20-19-16/h3,5-9,11,13H,4,10,12H2,1-2H3
InChIKeyVFTNSYCHANQUMT-UHFFFAOYSA-N
XLogP3.05
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-6-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine
CID 30897324
2-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]-6-methylpyridine-3-carbonitrile
CID 29184468
3-[3-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrazol-1-yl]propan-1-ol
CID 29068891
2-[3-[1-(2-methoxyethyl)pyrazol-3-yl]phenyl]-1,3-thiazole
CID 28732154
[3-(6-methoxypyridazin-3-yl)phenyl]methanol
CID 53425314
1-(3-methoxypropyl)-3-propan-2-ylpyrazole
CID 129255782
(2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol
CID 29257356
3-(dimethoxymethyl)-1-(3-methoxypropyl)pyrazole
CID 118157634
N,N-dimethyl-3-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]propan-1-amine
CID 28784014
2-[3-[6-(3-methoxypropoxy)pyridazin-3-yl]phenyl]-2-methylpropanoic acid
CID 90046763
5-[3-(6-methoxypyridazin-3-yl)phenyl]-2H-triazole-4-carbonitrile
CID 122478071
1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole
CID 166333734

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine?
The IUPAC name of 3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine (CID 31125984) is 3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine.
What is the SMILES notation for 3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine?
The canonical SMILES for 3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine is COCCCn1ccc(-c2cccc(-c3ccc(OC)nn3)c2)n1.
What is the InChIKey of 3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine?
The InChIKey is VFTNSYCHANQUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-23-12-4-10-22-11-9-17(21-22)15-6-3-5-14(13-15)16-7-8-18(24-2)20-19-16/h3,5-9,11,13H,4,10,12H2,1-2H3.
What are the key properties of 3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine?
3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine has a molecular weight of 324.38 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine is sourced from PubChem (CID 31125984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).