5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C20H14F3N3O — CID 123855577

IUPAC5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccn3nc(C(F)(F)F)c(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C20H14F3N3O/c1-27-15-9-7-13(8-10-15)16-11-12-26-19(24-16)17(14-5-3-2-4-6-14)18(25-26)20(21,22)23/h2-12H,1H3
InChIKeyXOOYARJMOCVBSE-UHFFFAOYSA-N
MW369.35 g/mol
LogP5.09
Rot. Bonds3

About 5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 123855577) has the molecular formula C20H14F3N3O and a molecular weight of 369.35 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID123855577
Molecular FormulaC20H14F3N3O
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccn3nc(C(F)(F)F)c(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C20H14F3N3O/c1-27-15-9-7-13(8-10-15)16-11-12-26-19(24-16)17(14-5-3-2-4-6-14)18(25-26)20(21,22)23/h2-12H,1H3
InChIKeyXOOYARJMOCVBSE-UHFFFAOYSA-N
XLogP5.09
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.35
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)pyrazole-3-carbonitrile
CID 172842617
3-phenyl-5-(4-propan-2-yloxyphenyl)-2,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 126225074
1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene
CID 46189438
2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 87792307
3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole
CID 132940971
4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100561110
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617
4-(4-methoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561144
3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 16751865
2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
CID 118710918
5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1288372

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 123855577) is 5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2ccn3nc(C(F)(F)F)c(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is XOOYARJMOCVBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O/c1-27-15-9-7-13(8-10-15)16-11-12-26-19(24-16)17(14-5-3-2-4-6-14)18(25-26)20(21,22)23/h2-12H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 369.35 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 123855577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).