4-[3-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol

C20H11F6N3O — CID 135409570

IUPAC4-[3-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol
SMILESOc1ccc(-c2nn3c(C(F)(F)F)cc(C(F)(F)F)nc3c2-c2ccccc2)cc1
InChIInChI=1S/C20H11F6N3O/c21-19(22,23)14-10-15(20(24,25)26)29-18(27-14)16(11-4-2-1-3-5-11)17(28-29)12-6-8-13(30)9-7-12/h1-10,30H
InChIKeyWTGPATKANXGRQA-UHFFFAOYSA-N
MW423.32 g/mol
LogP5.81
Rot. Bonds2

About 4-[3-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol

4-[3-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol (PubChem CID 135409570) has the molecular formula C20H11F6N3O and a molecular weight of 423.32 g/mol. Its IUPAC name is 4-[3-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[3-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol
PubChem CID135409570
Molecular FormulaC20H11F6N3O
Molecular Weight423.32 g/mol
Exact Mass423.08
IUPAC Name4-[3-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol
SMILESOc1ccc(-c2nn3c(C(F)(F)F)cc(C(F)(F)F)nc3c2-c2ccccc2)cc1
InChIInChI=1S/C20H11F6N3O/c21-19(22,23)14-10-15(20(24,25)26)29-18(27-14)16(11-4-2-1-3-5-11)17(28-29)12-6-8-13(30)9-7-12/h1-10,30H
InChIKeyWTGPATKANXGRQA-UHFFFAOYSA-N
XLogP5.81
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.32
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Phtpp
CID 11201035
4-((6-Phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)phenol
CID 24901696
4,4'-(5,7-Bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2,3-diyl)diphenol
CID 135457889
2-(4-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 754731
4-(2-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 16103238
4-(2-{4-[2-(Dimethylamino)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 16103245
4-(3-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl)phenol
CID 135547714
4-(3-{4-[2-(Dimethylamino)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl)phenol
CID 135547715
4-((6-Phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)phenol
CID 24901698
4-[6-Hydroxy-3-(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-2(1H)-ylidene]cyclohexa-2,5-dien-1-one
CID 135678114
3-(2-Methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 977660
6-amino-4-(3,4-dihydroxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 4897145

Frequently Asked Questions

What is the IUPAC name of 4-[3-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol?
The IUPAC name of 4-[3-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol (CID 135409570) is 4-[3-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[3-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[3-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol is Oc1ccc(-c2nn3c(C(F)(F)F)cc(C(F)(F)F)nc3c2-c2ccccc2)cc1.
What is the InChIKey of 4-[3-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol?
The InChIKey is WTGPATKANXGRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F6N3O/c21-19(22,23)14-10-15(20(24,25)26)29-18(27-14)16(11-4-2-1-3-5-11)17(28-29)12-6-8-13(30)9-7-12/h1-10,30H.
What are the key properties of 4-[3-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol?
4-[3-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol has a molecular weight of 423.32 g/mol, XLogP of 5.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol is sourced from PubChem (CID 135409570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).