2-methoxy-5-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol

C21H16F3N3O2 — CID 142401381

IUPAC2-methoxy-5-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol
SMILESCOc1ccc(-c2c(C)nn3cnc(-c4cccc(C(F)(F)F)c4)cc23)cc1O
InChIInChI=1S/C21H16F3N3O2/c1-12-20(14-6-7-19(29-2)18(28)9-14)17-10-16(25-11-27(17)26-12)13-4-3-5-15(8-13)21(22,23)24/h3-11,28H,1-2H3
InChIKeyWSABGKNWJKQVKP-UHFFFAOYSA-N
MW399.37 g/mol
LogP5.10
Rot. Bonds3

About 2-methoxy-5-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol

2-methoxy-5-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol (PubChem CID 142401381) has the molecular formula C21H16F3N3O2 and a molecular weight of 399.37 g/mol. Its IUPAC name is 2-methoxy-5-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol
PubChem CID142401381
Molecular FormulaC21H16F3N3O2
Molecular Weight399.37 g/mol
Exact Mass399.12
IUPAC Name2-methoxy-5-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol
SMILESCOc1ccc(-c2c(C)nn3cnc(-c4cccc(C(F)(F)F)c4)cc23)cc1O
InChIInChI=1S/C21H16F3N3O2/c1-12-20(14-6-7-19(29-2)18(28)9-14)17-10-16(25-11-27(17)26-12)13-4-3-5-15(8-13)21(22,23)24/h3-11,28H,1-2H3
InChIKeyWSABGKNWJKQVKP-UHFFFAOYSA-N
XLogP5.10
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.37
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119024630
2-methoxy-5-[6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 142401392
2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene
CID 134627143
8-methoxy-3-[3-(trifluoromethyl)phenyl]isoquinoline
CID 163359867
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 69039624
4-hydroxy-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 131743309
2-methoxy-5-[6-(trifluoromethyl)quinolin-4-yl]phenol
CID 66559034
methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134635397
2-methoxy-5-[7-(trifluoromethyl)quinolin-4-yl]phenol
CID 66558958
5-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 66522146
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 153216978
2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol
CID 53221067

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol?
The IUPAC name of 2-methoxy-5-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol (CID 142401381) is 2-methoxy-5-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol?
The canonical SMILES for 2-methoxy-5-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol is COc1ccc(-c2c(C)nn3cnc(-c4cccc(C(F)(F)F)c4)cc23)cc1O.
What is the InChIKey of 2-methoxy-5-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol?
The InChIKey is WSABGKNWJKQVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2/c1-12-20(14-6-7-19(29-2)18(28)9-14)17-10-16(25-11-27(17)26-12)13-4-3-5-15(8-13)21(22,23)24/h3-11,28H,1-2H3.
What are the key properties of 2-methoxy-5-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol?
2-methoxy-5-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol has a molecular weight of 399.37 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-methyl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]phenol is sourced from PubChem (CID 142401381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).