5-(2-methoxy-6-methylphenyl)-1-methyl-4-phenylpyrazole

C18H18N2O — CID 154717352

IUPAC5-(2-methoxy-6-methylphenyl)-1-methyl-4-phenylpyrazole
SMILESCOc1cccc(C)c1-c1c(-c2ccccc2)cnn1C
InChIInChI=1S/C18H18N2O/c1-13-8-7-11-16(21-3)17(13)18-15(12-19-20(18)2)14-9-5-4-6-10-14/h4-12H,1-3H3
InChIKeyFJIZQAJWFZWKGD-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.07
Rot. Bonds3

About 5-(2-methoxy-6-methylphenyl)-1-methyl-4-phenylpyrazole

5-(2-methoxy-6-methylphenyl)-1-methyl-4-phenylpyrazole (PubChem CID 154717352) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-(2-methoxy-6-methylphenyl)-1-methyl-4-phenylpyrazole.

Molecular Properties

Compound Name5-(2-methoxy-6-methylphenyl)-1-methyl-4-phenylpyrazole
PubChem CID154717352
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name5-(2-methoxy-6-methylphenyl)-1-methyl-4-phenylpyrazole
SMILESCOc1cccc(C)c1-c1c(-c2ccccc2)cnn1C
InChIInChI=1S/C18H18N2O/c1-13-8-7-11-16(21-3)17(13)18-15(12-19-20(18)2)14-9-5-4-6-10-14/h4-12H,1-3H3
InChIKeyFJIZQAJWFZWKGD-UHFFFAOYSA-N
XLogP4.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
1,5-dimethylbenzo[f]indazole-4,9-dione
CID 501286
4-(3,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117370777
2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide
CID 110664738
2-(2-methoxy-6-methylphenyl)pyrimidine
CID 166845053
4-(3-methoxy-2-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376786
4-(3-bromo-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117477177
2-[3-methoxy-2-(2-methoxy-6-methylphenyl)phenyl]quinoline
CID 23528867
3-methoxy-2-(2-methylphenyl)phenol
CID 122691974
(1-methyl-4-phenylpyrazol-5-yl)methanol
CID 83383743
6-(2,6-dimethoxyphenyl)-2,4-dimethyl-3-phenylpyridine
CID 122206647
1-methyl-4-phenylpyrazole-5-sulfonyl chloride
CID 15933830

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-6-methylphenyl)-1-methyl-4-phenylpyrazole?
The IUPAC name of 5-(2-methoxy-6-methylphenyl)-1-methyl-4-phenylpyrazole (CID 154717352) is 5-(2-methoxy-6-methylphenyl)-1-methyl-4-phenylpyrazole.
What is the SMILES notation for 5-(2-methoxy-6-methylphenyl)-1-methyl-4-phenylpyrazole?
The canonical SMILES for 5-(2-methoxy-6-methylphenyl)-1-methyl-4-phenylpyrazole is COc1cccc(C)c1-c1c(-c2ccccc2)cnn1C.
What is the InChIKey of 5-(2-methoxy-6-methylphenyl)-1-methyl-4-phenylpyrazole?
The InChIKey is FJIZQAJWFZWKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-8-7-11-16(21-3)17(13)18-15(12-19-20(18)2)14-9-5-4-6-10-14/h4-12H,1-3H3.
What are the key properties of 5-(2-methoxy-6-methylphenyl)-1-methyl-4-phenylpyrazole?
5-(2-methoxy-6-methylphenyl)-1-methyl-4-phenylpyrazole has a molecular weight of 278.36 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-6-methylphenyl)-1-methyl-4-phenylpyrazole is sourced from PubChem (CID 154717352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).