3-methoxy-6-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine

C21H19N5O — CID 30897324

IUPAC3-methoxy-6-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine
SMILESCOc1ccc(-c2cccc(-c3ccn(Cc4ncccc4C)n3)c2)nn1
InChIInChI=1S/C21H19N5O/c1-15-5-4-11-22-20(15)14-26-12-10-19(25-26)17-7-3-6-16(13-17)18-8-9-21(27-2)24-23-18/h3-13H,14H2,1-2H3
InChIKeyXYTHXLCVXQFJDQ-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.77
Rot. Bonds5

About 3-methoxy-6-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine

3-methoxy-6-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine (PubChem CID 30897324) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 3-methoxy-6-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine.

Molecular Properties

Compound Name3-methoxy-6-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine
PubChem CID30897324
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name3-methoxy-6-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine
SMILESCOc1ccc(-c2cccc(-c3ccn(Cc4ncccc4C)n3)c2)nn1
InChIInChI=1S/C21H19N5O/c1-15-5-4-11-22-20(15)14-26-12-10-19(25-26)17-7-3-6-16(13-17)18-8-9-21(27-2)24-23-18/h3-13H,14H2,1-2H3
InChIKeyXYTHXLCVXQFJDQ-UHFFFAOYSA-N
XLogP3.77
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-3-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrazine
CID 29151786
3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine
CID 31125984
4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine
CID 28664911
2-[(3-phenylpyrazol-1-yl)methyl]pyridin-3-amine
CID 137461204
(2S)-1-[3-[3-(3,4-dimethoxyphenyl)phenyl]pyrazol-1-yl]propan-2-ol
CID 29257356
3-methyl-2-(pyrrol-1-ylmethyl)pyridine
CID 63306746
3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine
CID 99964672
4-[3-[1-[(1-ethylimidazol-2-yl)methyl]pyrazol-3-yl]phenyl]-2,5-dimethylpyrimidine
CID 28822694
3-[3-(4-methoxy-2-methylphenyl)phenyl]-1-[(3-methylimidazol-4-yl)methyl]pyrazole
CID 29028181
methyl 1-[(3-methyl-2-pyridinyl)methyl]-1,2,4-triazole-3-carboxylate
CID 112549863
4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine
CID 29057238
5-[3-(6-methoxypyridazin-3-yl)phenyl]-2H-triazole-4-carbonitrile
CID 122478071

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine?
The IUPAC name of 3-methoxy-6-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine (CID 30897324) is 3-methoxy-6-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine.
What is the SMILES notation for 3-methoxy-6-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine?
The canonical SMILES for 3-methoxy-6-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine is COc1ccc(-c2cccc(-c3ccn(Cc4ncccc4C)n3)c2)nn1.
What is the InChIKey of 3-methoxy-6-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine?
The InChIKey is XYTHXLCVXQFJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-15-5-4-11-22-20(15)14-26-12-10-19(25-26)17-7-3-6-16(13-17)18-8-9-21(27-2)24-23-18/h3-13H,14H2,1-2H3.
What are the key properties of 3-methoxy-6-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine?
3-methoxy-6-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine has a molecular weight of 357.42 g/mol, XLogP of 3.77, 5 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-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine is sourced from PubChem (CID 30897324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).