3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine

C16H16N4O2 — CID 72855762

IUPAC3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine
SMILESCOc1ccc(Cn2cc(-c3ccc(OC)nn3)cn2)cc1
InChIInChI=1S/C16H16N4O2/c1-21-14-5-3-12(4-6-14)10-20-11-13(9-17-20)15-7-8-16(22-2)19-18-15/h3-9,11H,10H2,1-2H3
InChIKeyXUBPNJNQZVEJEB-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.41
Rot. Bonds5

About 3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine

3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine (PubChem CID 72855762) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine.

Molecular Properties

Compound Name3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine
PubChem CID72855762
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine
SMILESCOc1ccc(Cn2cc(-c3ccc(OC)nn3)cn2)cc1
InChIInChI=1S/C16H16N4O2/c1-21-14-5-3-12(4-6-14)10-20-11-13(9-17-20)15-7-8-16(22-2)19-18-15/h3-9,11H,10H2,1-2H3
InChIKeyXUBPNJNQZVEJEB-UHFFFAOYSA-N
XLogP2.41
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-6-propan-2-ylpyrimidine
CID 121496283
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328527
5-[6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 56911631
4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole
CID 155787800
N-(1-benzylpyrazol-3-yl)-2-[4-(6-methoxypyridazin-3-yl)pyrazol-1-yl]acetamide
CID 46995316
5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid
CID 122559517
2-chloro-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridine
CID 137373649
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 121390926
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine
CID 176804108
(2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid
CID 97277528
5-fluoro-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-pyrrolidin-1-ylpyrimidine
CID 74251099

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine?
The IUPAC name of 3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine (CID 72855762) is 3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine.
What is the SMILES notation for 3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine?
The canonical SMILES for 3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine is COc1ccc(Cn2cc(-c3ccc(OC)nn3)cn2)cc1.
What is the InChIKey of 3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine?
The InChIKey is XUBPNJNQZVEJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-21-14-5-3-12(4-6-14)10-20-11-13(9-17-20)15-7-8-16(22-2)19-18-15/h3-9,11H,10H2,1-2H3.
What are the key properties of 3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine?
3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine has a molecular weight of 296.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridazine is sourced from PubChem (CID 72855762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).