3-[3-(4-methoxy-2-methylphenyl)phenyl]-1-[(3-methylimidazol-4-yl)methyl]pyrazole

C22H22N4O — CID 29028181

IUPAC3-[3-(4-methoxy-2-methylphenyl)phenyl]-1-[(3-methylimidazol-4-yl)methyl]pyrazole
SMILESCOc1ccc(-c2cccc(-c3ccn(Cc4cncn4C)n3)c2)c(C)c1
InChIInChI=1S/C22H22N4O/c1-16-11-20(27-3)7-8-21(16)17-5-4-6-18(12-17)22-9-10-26(24-22)14-19-13-23-15-25(19)2/h4-13,15H,14H2,1-3H3
InChIKeyOHECGMSZIBRDJE-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.32
Rot. Bonds5

About 3-[3-(4-methoxy-2-methylphenyl)phenyl]-1-[(3-methylimidazol-4-yl)methyl]pyrazole

3-[3-(4-methoxy-2-methylphenyl)phenyl]-1-[(3-methylimidazol-4-yl)methyl]pyrazole (PubChem CID 29028181) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 3-[3-(4-methoxy-2-methylphenyl)phenyl]-1-[(3-methylimidazol-4-yl)methyl]pyrazole.

Molecular Properties

Compound Name3-[3-(4-methoxy-2-methylphenyl)phenyl]-1-[(3-methylimidazol-4-yl)methyl]pyrazole
PubChem CID29028181
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name3-[3-(4-methoxy-2-methylphenyl)phenyl]-1-[(3-methylimidazol-4-yl)methyl]pyrazole
SMILESCOc1ccc(-c2cccc(-c3ccn(Cc4cncn4C)n3)c2)c(C)c1
InChIInChI=1S/C22H22N4O/c1-16-11-20(27-3)7-8-21(16)17-5-4-6-18(12-17)22-9-10-26(24-22)14-19-13-23-15-25(19)2/h4-13,15H,14H2,1-3H3
InChIKeyOHECGMSZIBRDJE-UHFFFAOYSA-N
XLogP4.32
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[2-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]phenyl]-1,3,4-oxadiazole
CID 31053397
4-methoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66119597
2-methoxy-3-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrazine
CID 29151786
4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine
CID 28664911
3-methoxy-6-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine
CID 30897324
2-[4-(4-methoxy-2-methylphenyl)pyrazol-1-yl]ethanol
CID 56716387
5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine
CID 28871478
4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine
CID 29057238
4-methoxy-2-methyl-1-(3-methyl-4-propan-2-ylphenyl)benzene
CID 21034216
5-[3-methyl-4-(3-methylphenyl)phenoxy]-1-[(4-methylphenyl)methyl]imidazole
CID 54490047
4-[3-[1-[(1-ethylimidazol-2-yl)methyl]pyrazol-3-yl]phenyl]-2,5-dimethylpyrimidine
CID 28822694
3-methoxy-6-[3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl]pyridazine
CID 31125984

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxy-2-methylphenyl)phenyl]-1-[(3-methylimidazol-4-yl)methyl]pyrazole?
The IUPAC name of 3-[3-(4-methoxy-2-methylphenyl)phenyl]-1-[(3-methylimidazol-4-yl)methyl]pyrazole (CID 29028181) is 3-[3-(4-methoxy-2-methylphenyl)phenyl]-1-[(3-methylimidazol-4-yl)methyl]pyrazole.
What is the SMILES notation for 3-[3-(4-methoxy-2-methylphenyl)phenyl]-1-[(3-methylimidazol-4-yl)methyl]pyrazole?
The canonical SMILES for 3-[3-(4-methoxy-2-methylphenyl)phenyl]-1-[(3-methylimidazol-4-yl)methyl]pyrazole is COc1ccc(-c2cccc(-c3ccn(Cc4cncn4C)n3)c2)c(C)c1.
What is the InChIKey of 3-[3-(4-methoxy-2-methylphenyl)phenyl]-1-[(3-methylimidazol-4-yl)methyl]pyrazole?
The InChIKey is OHECGMSZIBRDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-16-11-20(27-3)7-8-21(16)17-5-4-6-18(12-17)22-9-10-26(24-22)14-19-13-23-15-25(19)2/h4-13,15H,14H2,1-3H3.
What are the key properties of 3-[3-(4-methoxy-2-methylphenyl)phenyl]-1-[(3-methylimidazol-4-yl)methyl]pyrazole?
3-[3-(4-methoxy-2-methylphenyl)phenyl]-1-[(3-methylimidazol-4-yl)methyl]pyrazole has a molecular weight of 358.45 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxy-2-methylphenyl)phenyl]-1-[(3-methylimidazol-4-yl)methyl]pyrazole is sourced from PubChem (CID 29028181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).