5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C21H16F3N3O — CID 1288372

IUPAC5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(-c2cc(C(F)(F)F)n3nc(C)c(-c4ccccc4)c3n2)c1
InChIInChI=1S/C21H16F3N3O/c1-13-19(14-7-4-3-5-8-14)20-25-17(15-9-6-10-16(11-15)28-2)12-18(21(22,23)24)27(20)26-13/h3-12H,1-2H3
InChIKeyRVSGOFRUWVAOBA-UHFFFAOYSA-N
MW383.37 g/mol
LogP5.40
Rot. Bonds3

About 5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 1288372) has the molecular formula C21H16F3N3O and a molecular weight of 383.37 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID1288372
Molecular FormulaC21H16F3N3O
Molecular Weight383.37 g/mol
Exact Mass383.12
IUPAC Name5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(-c2cc(C(F)(F)F)n3nc(C)c(-c4ccccc4)c3n2)c1
InChIInChI=1S/C21H16F3N3O/c1-13-19(14-7-4-3-5-8-14)20-25-17(15-9-6-10-16(11-15)28-2)12-18(21(22,23)24)27(20)26-13/h3-12H,1-2H3
InChIKeyRVSGOFRUWVAOBA-UHFFFAOYSA-N
XLogP5.40
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.37
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 66522146
3-(3,4-dimethoxyphenyl)-2-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 22332914
3-(3-bromophenyl)-2-methyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 17174880
3-chloro-5-(3-methoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464526
5-(3-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2055225
3-chloro-N-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464255
5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 6971349
N-butyl-3-chloro-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464528
3-phenyl-5-(4-propan-2-yloxyphenyl)-2,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 126225074
3-chloro-N-cyclopropyl-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464292
5-(3-methoxyphenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17079174
5-(4-bromophenyl)-2-(phenoxymethyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 118986635

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 1288372) is 5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is COc1cccc(-c2cc(C(F)(F)F)n3nc(C)c(-c4ccccc4)c3n2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is RVSGOFRUWVAOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O/c1-13-19(14-7-4-3-5-8-14)20-25-17(15-9-6-10-16(11-15)28-2)12-18(21(22,23)24)27(20)26-13/h3-12H,1-2H3.
What are the key properties of 5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 383.37 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1288372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).