1-(3,4-dimethylphenyl)pyrazole;1-(4-fluoro-3-methylphenyl)triazole;2-(2-methoxy-5-methylphenyl)pyrazine;1-(2-methoxy-5-methylphenyl)pyrazole;2-(2-methoxy-5-methylphenyl)pyrimidine;2-(2-methoxy-5-methylphenyl)thiophene;4-methyl-2-(3-methylphenyl)pyrimidine;2-(3-methylphenyl)pyrazine;1-(3-methylphenyl)pyrazole;1-(3-methylphenyl)pyrrole;2-(3-methylphenyl)thiophene;1-(3-methylphenyl)triazole;1-(3-methylphenyl)-1,2,4-triazole;4-methyl-2-pyrimidin-2-ylphenol

C151H149FN26O5S2 — CID 158262044

IUPAC1-(3,4-dimethylphenyl)pyrazole;1-(4-fluoro-3-methylphenyl)triazole;2-(2-methoxy-5-methylphenyl)pyrazine;1-(2-methoxy-5-methylphenyl)pyrazole;2-(2-methoxy-5-methylphenyl)pyrimidine;2-(2-methoxy-5-methylphenyl)thiophene;4-methyl-2-(3-methylphenyl)pyrimidine;2-(3-methylphenyl)pyrazine;1-(3-methylphenyl)pyrazole;1-(3-methylphenyl)pyrrole;2-(3-methylphenyl)thiophene;1-(3-methylphenyl)triazole;1-(3-methylphenyl)-1,2,4-triazole;4-methyl-2-pyrimidin-2-ylphenol
SMILESCOc1ccc(C)cc1-c1cccs1.COc1ccc(C)cc1-c1cnccn1.COc1ccc(C)cc1-c1ncccn1.COc1ccc(C)cc1-n1cccn1.Cc1cc(-n2ccnn2)ccc1F.Cc1ccc(-n2cccn2)cc1C.Cc1ccc(O)c(-c2ncccn2)c1.Cc1cccc(-c2cccs2)c1.Cc1cccc(-c2cnccn2)c1.Cc1cccc(-c2nccc(C)n2)c1.Cc1cccc(-n2cccc2)c1.Cc1cccc(-n2cccn2)c1.Cc1cccc(-n2ccnn2)c1.Cc1cccc(-n2cncn2)c1
InChIInChI=1S/2C12H12N2O.C12H12N2.C12H12OS.C11H12N2O.C11H10N2O.C11H12N2.C11H10N2.C11H11N.C11H10S.C10H10N2.C9H8FN3.2C9H9N3/c1-9-4-5-11(15-2)10(8-9)12-13-6-3-7-14-12;1-9-3-4-12(15-2)10(7-9)11-8-13-5-6-14-11;1-9-4-3-5-11(8-9)12-13-7-6-10(2)14-12;1-9-5-6-11(13-2)10(8-9)12-4-3-7-14-12;1-9-4-5-11(14-2)10(8-9)13-7-3-6-12-13;1-8-3-4-10(14)9(7-8)11-12-5-2-6-13-11;1-9-4-5-11(8-10(9)2)13-7-3-6-12-13;1-9-3-2-4-10(7-9)11-8-12-5-6-13-11;1-10-5-4-6-11(9-10)12-7-2-3-8-12;1-9-4-2-5-10(8-9)11-6-3-7-12-11;1-9-4-2-5-10(8-9)12-7-3-6-11-12;1-7-6-8(2-3-9(7)10)13-5-4-11-12-13;1-8-3-2-4-9(5-8)12-7-10-6-11-12;1-8-3-2-4-9(7-8)12-6-5-10-11-12/h2*3-8H,1-2H3;3*3-8H,1-2H3;2-7,14H,1H3;3-8H,1-2H3;2-8H,1H3;2-9H,1H3;2*2-8H,1H3;2-6H,1H3;2*2-7H,1H3
InChIKeyGHZIDJLNRMYORA-UHFFFAOYSA-N
MW2491.16 g/mol
LogP34.26
Rot. Bonds18

About 1-(3,4-dimethylphenyl)pyrazole;1-(4-fluoro-3-methylphenyl)triazole;2-(2-methoxy-5-methylphenyl)pyrazine;1-(2-methoxy-5-methylphenyl)pyrazole;2-(2-methoxy-5-methylphenyl)pyrimidine;2-(2-methoxy-5-methylphenyl)thiophene;4-methyl-2-(3-methylphenyl)pyrimidine;2-(3-methylphenyl)pyrazine;1-(3-methylphenyl)pyrazole;1-(3-methylphenyl)pyrrole;2-(3-methylphenyl)thiophene;1-(3-methylphenyl)triazole;1-(3-methylphenyl)-1,2,4-triazole;4-methyl-2-pyrimidin-2-ylphenol

1-(3,4-dimethylphenyl)pyrazole;1-(4-fluoro-3-methylphenyl)triazole;2-(2-methoxy-5-methylphenyl)pyrazine;1-(2-methoxy-5-methylphenyl)pyrazole;2-(2-methoxy-5-methylphenyl)pyrimidine;2-(2-methoxy-5-methylphenyl)thiophene;4-methyl-2-(3-methylphenyl)pyrimidine;2-(3-methylphenyl)pyrazine;1-(3-methylphenyl)pyrazole;1-(3-methylphenyl)pyrrole;2-(3-methylphenyl)thiophene;1-(3-methylphenyl)triazole;1-(3-methylphenyl)-1,2,4-triazole;4-methyl-2-pyrimidin-2-ylphenol (PubChem CID 158262044) has the molecular formula C151H149FN26O5S2 and a molecular weight of 2491.16 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)pyrazole;1-(4-fluoro-3-methylphenyl)triazole;2-(2-methoxy-5-methylphenyl)pyrazine;1-(2-methoxy-5-methylphenyl)pyrazole;2-(2-methoxy-5-methylphenyl)pyrimidine;2-(2-methoxy-5-methylphenyl)thiophene;4-methyl-2-(3-methylphenyl)pyrimidine;2-(3-methylphenyl)pyrazine;1-(3-methylphenyl)pyrazole;1-(3-methylphenyl)pyrrole;2-(3-methylphenyl)thiophene;1-(3-methylphenyl)triazole;1-(3-methylphenyl)-1,2,4-triazole;4-methyl-2-pyrimidin-2-ylphenol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)pyrazole;1-(4-fluoro-3-methylphenyl)triazole;2-(2-methoxy-5-methylphenyl)pyrazine;1-(2-methoxy-5-methylphenyl)pyrazole;2-(2-methoxy-5-methylphenyl)pyrimidine;2-(2-methoxy-5-methylphenyl)thiophene;4-methyl-2-(3-methylphenyl)pyrimidine;2-(3-methylphenyl)pyrazine;1-(3-methylphenyl)pyrazole;1-(3-methylphenyl)pyrrole;2-(3-methylphenyl)thiophene;1-(3-methylphenyl)triazole;1-(3-methylphenyl)-1,2,4-triazole;4-methyl-2-pyrimidin-2-ylphenol
PubChem CID158262044
Molecular FormulaC151H149FN26O5S2
Molecular Weight2491.16 g/mol
Exact Mass2489.16
IUPAC Name1-(3,4-dimethylphenyl)pyrazole;1-(4-fluoro-3-methylphenyl)triazole;2-(2-methoxy-5-methylphenyl)pyrazine;1-(2-methoxy-5-methylphenyl)pyrazole;2-(2-methoxy-5-methylphenyl)pyrimidine;2-(2-methoxy-5-methylphenyl)thiophene;4-methyl-2-(3-methylphenyl)pyrimidine;2-(3-methylphenyl)pyrazine;1-(3-methylphenyl)pyrazole;1-(3-methylphenyl)pyrrole;2-(3-methylphenyl)thiophene;1-(3-methylphenyl)triazole;1-(3-methylphenyl)-1,2,4-triazole;4-methyl-2-pyrimidin-2-ylphenol
SMILESCOc1ccc(C)cc1-c1cccs1.COc1ccc(C)cc1-c1cnccn1.COc1ccc(C)cc1-c1ncccn1.COc1ccc(C)cc1-n1cccn1.Cc1cc(-n2ccnn2)ccc1F.Cc1ccc(-n2cccn2)cc1C.Cc1ccc(O)c(-c2ncccn2)c1.Cc1cccc(-c2cccs2)c1.Cc1cccc(-c2cnccn2)c1.Cc1cccc(-c2nccc(C)n2)c1.Cc1cccc(-n2cccc2)c1.Cc1cccc(-n2cccn2)c1.Cc1cccc(-n2ccnn2)c1.Cc1cccc(-n2cncn2)c1
InChIInChI=1S/2C12H12N2O.C12H12N2.C12H12OS.C11H12N2O.C11H10N2O.C11H12N2.C11H10N2.C11H11N.C11H10S.C10H10N2.C9H8FN3.2C9H9N3/c1-9-4-5-11(15-2)10(8-9)12-13-6-3-7-14-12;1-9-3-4-12(15-2)10(7-9)11-8-13-5-6-14-11;1-9-4-3-5-11(8-9)12-13-7-6-10(2)14-12;1-9-5-6-11(13-2)10(8-9)12-4-3-7-14-12;1-9-4-5-11(14-2)10(8-9)13-7-3-6-12-13;1-8-3-4-10(14)9(7-8)11-12-5-2-6-13-11;1-9-4-5-11(8-10(9)2)13-7-3-6-12-13;1-9-3-2-4-10(7-9)11-8-12-5-6-13-11;1-10-5-4-6-11(9-10)12-7-2-3-8-12;1-9-4-2-5-10(8-9)11-6-3-7-12-11;1-9-4-2-5-10(8-9)12-7-3-6-11-12;1-7-6-8(2-3-9(7)10)13-5-4-11-12-13;1-8-3-2-4-9(5-8)12-7-10-6-11-12;1-8-3-2-4-9(7-8)12-6-5-10-11-12/h2*3-8H,1-2H3;3*3-8H,1-2H3;2-7,14H,1H3;3-8H,1-2H3;2-8H,1H3;2-9H,1H3;2*2-8H,1H3;2-6H,1H3;2*2-7H,1H3
InChIKeyGHZIDJLNRMYORA-UHFFFAOYSA-N
XLogP34.26
TPSA336.57 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds18
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002491.16
LogP ≤ 534.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Analyze 1-(3,4-dimethylphenyl)pyrazole;1-(4-fluoro-3-methylphenyl)triazole;2-(2-methoxy-5-methylphenyl)pyrazine;1-(2-methoxy-5-methylphenyl)pyrazole;2-(2-methoxy-5-methylphenyl)pyrimidine;2-(2-methoxy-5-methylphenyl)thiophene;4-methyl-2-(3-methylphenyl)pyrimidine;2-(3-methylphenyl)pyrazine;1-(3-methylphenyl)pyrazole;1-(3-methylphenyl)pyrrole;2-(3-methylphenyl)thiophene;1-(3-methylphenyl)triazole;1-(3-methylphenyl)-1,2,4-triazole;4-methyl-2-pyrimidin-2-ylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)pyrazole;1-(4-fluoro-3-methylphenyl)triazole;2-(2-methoxy-5-methylphenyl)pyrazine;1-(2-methoxy-5-methylphenyl)pyrazole;2-(2-methoxy-5-methylphenyl)pyrimidine;2-(2-methoxy-5-methylphenyl)thiophene;4-methyl-2-(3-methylphenyl)pyrimidine;2-(3-methylphenyl)pyrazine;1-(3-methylphenyl)pyrazole;1-(3-methylphenyl)pyrrole;2-(3-methylphenyl)thiophene;1-(3-methylphenyl)triazole;1-(3-methylphenyl)-1,2,4-triazole;4-methyl-2-pyrimidin-2-ylphenol?
The IUPAC name of 1-(3,4-dimethylphenyl)pyrazole;1-(4-fluoro-3-methylphenyl)triazole;2-(2-methoxy-5-methylphenyl)pyrazine;1-(2-methoxy-5-methylphenyl)pyrazole;2-(2-methoxy-5-methylphenyl)pyrimidine;2-(2-methoxy-5-methylphenyl)thiophene;4-methyl-2-(3-methylphenyl)pyrimidine;2-(3-methylphenyl)pyrazine;1-(3-methylphenyl)pyrazole;1-(3-methylphenyl)pyrrole;2-(3-methylphenyl)thiophene;1-(3-methylphenyl)triazole;1-(3-methylphenyl)-1,2,4-triazole;4-methyl-2-pyrimidin-2-ylphenol (CID 158262044) is 1-(3,4-dimethylphenyl)pyrazole;1-(4-fluoro-3-methylphenyl)triazole;2-(2-methoxy-5-methylphenyl)pyrazine;1-(2-methoxy-5-methylphenyl)pyrazole;2-(2-methoxy-5-methylphenyl)pyrimidine;2-(2-methoxy-5-methylphenyl)thiophene;4-methyl-2-(3-methylphenyl)pyrimidine;2-(3-methylphenyl)pyrazine;1-(3-methylphenyl)pyrazole;1-(3-methylphenyl)pyrrole;2-(3-methylphenyl)thiophene;1-(3-methylphenyl)triazole;1-(3-methylphenyl)-1,2,4-triazole;4-methyl-2-pyrimidin-2-ylphenol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)pyrazole;1-(4-fluoro-3-methylphenyl)triazole;2-(2-methoxy-5-methylphenyl)pyrazine;1-(2-methoxy-5-methylphenyl)pyrazole;2-(2-methoxy-5-methylphenyl)pyrimidine;2-(2-methoxy-5-methylphenyl)thiophene;4-methyl-2-(3-methylphenyl)pyrimidine;2-(3-methylphenyl)pyrazine;1-(3-methylphenyl)pyrazole;1-(3-methylphenyl)pyrrole;2-(3-methylphenyl)thiophene;1-(3-methylphenyl)triazole;1-(3-methylphenyl)-1,2,4-triazole;4-methyl-2-pyrimidin-2-ylphenol?
The canonical SMILES for 1-(3,4-dimethylphenyl)pyrazole;1-(4-fluoro-3-methylphenyl)triazole;2-(2-methoxy-5-methylphenyl)pyrazine;1-(2-methoxy-5-methylphenyl)pyrazole;2-(2-methoxy-5-methylphenyl)pyrimidine;2-(2-methoxy-5-methylphenyl)thiophene;4-methyl-2-(3-methylphenyl)pyrimidine;2-(3-methylphenyl)pyrazine;1-(3-methylphenyl)pyrazole;1-(3-methylphenyl)pyrrole;2-(3-methylphenyl)thiophene;1-(3-methylphenyl)triazole;1-(3-methylphenyl)-1,2,4-triazole;4-methyl-2-pyrimidin-2-ylphenol is COc1ccc(C)cc1-c1cccs1.COc1ccc(C)cc1-c1cnccn1.COc1ccc(C)cc1-c1ncccn1.COc1ccc(C)cc1-n1cccn1.Cc1cc(-n2ccnn2)ccc1F.Cc1ccc(-n2cccn2)cc1C.Cc1ccc(O)c(-c2ncccn2)c1.Cc1cccc(-c2cccs2)c1.Cc1cccc(-c2cnccn2)c1.Cc1cccc(-c2nccc(C)n2)c1.Cc1cccc(-n2cccc2)c1.Cc1cccc(-n2cccn2)c1.Cc1cccc(-n2ccnn2)c1.Cc1cccc(-n2cncn2)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)pyrazole;1-(4-fluoro-3-methylphenyl)triazole;2-(2-methoxy-5-methylphenyl)pyrazine;1-(2-methoxy-5-methylphenyl)pyrazole;2-(2-methoxy-5-methylphenyl)pyrimidine;2-(2-methoxy-5-methylphenyl)thiophene;4-methyl-2-(3-methylphenyl)pyrimidine;2-(3-methylphenyl)pyrazine;1-(3-methylphenyl)pyrazole;1-(3-methylphenyl)pyrrole;2-(3-methylphenyl)thiophene;1-(3-methylphenyl)triazole;1-(3-methylphenyl)-1,2,4-triazole;4-methyl-2-pyrimidin-2-ylphenol?
The InChIKey is GHZIDJLNRMYORA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12N2O.C12H12N2.C12H12OS.C11H12N2O.C11H10N2O.C11H12N2.C11H10N2.C11H11N.C11H10S.C10H10N2.C9H8FN3.2C9H9N3/c1-9-4-5-11(15-2)10(8-9)12-13-6-3-7-14-12;1-9-3-4-12(15-2)10(7-9)11-8-13-5-6-14-11;1-9-4-3-5-11(8-9)12-13-7-6-10(2)14-12;1-9-5-6-11(13-2)10(8-9)12-4-3-7-14-12;1-9-4-5-11(14-2)10(8-9)13-7-3-6-12-13;1-8-3-4-10(14)9(7-8)11-12-5-2-6-13-11;1-9-4-5-11(8-10(9)2)13-7-3-6-12-13;1-9-3-2-4-10(7-9)11-8-12-5-6-13-11;1-10-5-4-6-11(9-10)12-7-2-3-8-12;1-9-4-2-5-10(8-9)11-6-3-7-12-11;1-9-4-2-5-10(8-9)12-7-3-6-11-12;1-7-6-8(2-3-9(7)10)13-5-4-11-12-13;1-8-3-2-4-9(5-8)12-7-10-6-11-12;1-8-3-2-4-9(7-8)12-6-5-10-11-12/h2*3-8H,1-2H3;3*3-8H,1-2H3;2-7,14H,1H3;3-8H,1-2H3;2-8H,1H3;2-9H,1H3;2*2-8H,1H3;2-6H,1H3;2*2-7H,1H3.
What are the key properties of 1-(3,4-dimethylphenyl)pyrazole;1-(4-fluoro-3-methylphenyl)triazole;2-(2-methoxy-5-methylphenyl)pyrazine;1-(2-methoxy-5-methylphenyl)pyrazole;2-(2-methoxy-5-methylphenyl)pyrimidine;2-(2-methoxy-5-methylphenyl)thiophene;4-methyl-2-(3-methylphenyl)pyrimidine;2-(3-methylphenyl)pyrazine;1-(3-methylphenyl)pyrazole;1-(3-methylphenyl)pyrrole;2-(3-methylphenyl)thiophene;1-(3-methylphenyl)triazole;1-(3-methylphenyl)-1,2,4-triazole;4-methyl-2-pyrimidin-2-ylphenol?
1-(3,4-dimethylphenyl)pyrazole;1-(4-fluoro-3-methylphenyl)triazole;2-(2-methoxy-5-methylphenyl)pyrazine;1-(2-methoxy-5-methylphenyl)pyrazole;2-(2-methoxy-5-methylphenyl)pyrimidine;2-(2-methoxy-5-methylphenyl)thiophene;4-methyl-2-(3-methylphenyl)pyrimidine;2-(3-methylphenyl)pyrazine;1-(3-methylphenyl)pyrazole;1-(3-methylphenyl)pyrrole;2-(3-methylphenyl)thiophene;1-(3-methylphenyl)triazole;1-(3-methylphenyl)-1,2,4-triazole;4-methyl-2-pyrimidin-2-ylphenol has a molecular weight of 2491.16 g/mol, XLogP of 34.26, 18 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)pyrazole;1-(4-fluoro-3-methylphenyl)triazole;2-(2-methoxy-5-methylphenyl)pyrazine;1-(2-methoxy-5-methylphenyl)pyrazole;2-(2-methoxy-5-methylphenyl)pyrimidine;2-(2-methoxy-5-methylphenyl)thiophene;4-methyl-2-(3-methylphenyl)pyrimidine;2-(3-methylphenyl)pyrazine;1-(3-methylphenyl)pyrazole;1-(3-methylphenyl)pyrrole;2-(3-methylphenyl)thiophene;1-(3-methylphenyl)triazole;1-(3-methylphenyl)-1,2,4-triazole;4-methyl-2-pyrimidin-2-ylphenol is sourced from PubChem (CID 158262044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).