3,5-dimethyl-1-[4-[(4-phenylphenoxy)methyl]phenyl]pyrazole

C24H22N2O — CID 8003571

IUPAC3,5-dimethyl-1-[4-[(4-phenylphenoxy)methyl]phenyl]pyrazole
SMILESCc1cc(C)n(-c2ccc(COc3ccc(-c4ccccc4)cc3)cc2)n1
InChIInChI=1S/C24H22N2O/c1-18-16-19(2)26(25-18)23-12-8-20(9-13-23)17-27-24-14-10-22(11-15-24)21-6-4-3-5-7-21/h3-16H,17H2,1-2H3
InChIKeyCFGNMOFHZWADKC-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.74
Rot. Bonds5

About 3,5-dimethyl-1-[4-[(4-phenylphenoxy)methyl]phenyl]pyrazole

3,5-dimethyl-1-[4-[(4-phenylphenoxy)methyl]phenyl]pyrazole (PubChem CID 8003571) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 3,5-dimethyl-1-[4-[(4-phenylphenoxy)methyl]phenyl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[4-[(4-phenylphenoxy)methyl]phenyl]pyrazole
PubChem CID8003571
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name3,5-dimethyl-1-[4-[(4-phenylphenoxy)methyl]phenyl]pyrazole
SMILESCc1cc(C)n(-c2ccc(COc3ccc(-c4ccccc4)cc3)cc2)n1
InChIInChI=1S/C24H22N2O/c1-18-16-19(2)26(25-18)23-12-8-20(9-13-23)17-27-24-14-10-22(11-15-24)21-6-4-3-5-7-21/h3-16H,17H2,1-2H3
InChIKeyCFGNMOFHZWADKC-UHFFFAOYSA-N
XLogP5.74
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-1-[4-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]pyrazole
CID 112819165
1-[4-[(2,4-difluorophenoxy)methyl]phenyl]-3,5-dimethylpyrazole
CID 55604203
benzyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 799986
5-methyl-1-(4-phenylphenyl)pyrazol-3-amine
CID 102942821
[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate
CID 60600774
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55707132
1-(4-methoxyphenyl)-3-(2-methylpropoxy)-5-(4-phenylmethoxyphenyl)-1,2,4-triazole
CID 91538162
2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetonitrile
CID 4962802
2,6-bis(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyridine
CID 132564654
1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 15943427
2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyphenyl)-6-phenylpyrimidine
CID 1070777
4-[(4-phenylphenoxy)methyl]benzonitrile
CID 7919523

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[4-[(4-phenylphenoxy)methyl]phenyl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-[4-[(4-phenylphenoxy)methyl]phenyl]pyrazole (CID 8003571) is 3,5-dimethyl-1-[4-[(4-phenylphenoxy)methyl]phenyl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[4-[(4-phenylphenoxy)methyl]phenyl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-[4-[(4-phenylphenoxy)methyl]phenyl]pyrazole is Cc1cc(C)n(-c2ccc(COc3ccc(-c4ccccc4)cc3)cc2)n1.
What is the InChIKey of 3,5-dimethyl-1-[4-[(4-phenylphenoxy)methyl]phenyl]pyrazole?
The InChIKey is CFGNMOFHZWADKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-18-16-19(2)26(25-18)23-12-8-20(9-13-23)17-27-24-14-10-22(11-15-24)21-6-4-3-5-7-21/h3-16H,17H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-[4-[(4-phenylphenoxy)methyl]phenyl]pyrazole?
3,5-dimethyl-1-[4-[(4-phenylphenoxy)methyl]phenyl]pyrazole has a molecular weight of 354.45 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[4-[(4-phenylphenoxy)methyl]phenyl]pyrazole is sourced from PubChem (CID 8003571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).