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

C16H7F6N5O — CID 10023842

IUPAC5-(trifluoromethyl)-3-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2ccnc3c(-c4noc(C(F)(F)F)n4)cnn23)c1
InChIInChI=1S/C16H7F6N5O/c17-15(18,19)9-3-1-2-8(6-9)11-4-5-23-13-10(7-24-27(11)13)12-25-14(28-26-12)16(20,21)22/h1-7H
InChIKeyPCBQLDQMNZMJRP-UHFFFAOYSA-N
MW399.25 g/mol
LogP4.48
Rot. Bonds2

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

5-(trifluoromethyl)-3-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole (PubChem CID 10023842) has the molecular formula C16H7F6N5O and a molecular weight of 399.25 g/mol. Its IUPAC name is 5-(trifluoromethyl)-3-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(trifluoromethyl)-3-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole
PubChem CID10023842
Molecular FormulaC16H7F6N5O
Molecular Weight399.25 g/mol
Exact Mass399.06
IUPAC Name5-(trifluoromethyl)-3-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2ccnc3c(-c4noc(C(F)(F)F)n4)cnn23)c1
InChIInChI=1S/C16H7F6N5O/c17-15(18,19)9-3-1-2-8(6-9)11-4-5-23-13-10(7-24-27(11)13)12-25-14(28-26-12)16(20,21)22/h1-7H
InChIKeyPCBQLDQMNZMJRP-UHFFFAOYSA-N
XLogP4.48
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
CID 23329841
3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103260
N'-hydroxy-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboximidamide
CID 2741018
N-[3-[3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 46880227
N-methyl-N-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
CID 10383110
N-[3-[3-(2-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 58970140
3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(trifluoromethyl)phenyl]aniline
CID 175184749
3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 140652262
7-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 24969569
N-[3-[3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 69131119
7-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 141183994
N-[3-[3-[4-[(2-methoxyacetyl)amino]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 69131136

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-3-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(trifluoromethyl)-3-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole (CID 10023842) is 5-(trifluoromethyl)-3-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(trifluoromethyl)-3-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(trifluoromethyl)-3-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole is FC(F)(F)c1cccc(-c2ccnc3c(-c4noc(C(F)(F)F)n4)cnn23)c1.
What is the InChIKey of 5-(trifluoromethyl)-3-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is PCBQLDQMNZMJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7F6N5O/c17-15(18,19)9-3-1-2-8(6-9)11-4-5-23-13-10(7-24-27(11)13)12-25-14(28-26-12)16(20,21)22/h1-7H.
What are the key properties of 5-(trifluoromethyl)-3-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole?
5-(trifluoromethyl)-3-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 399.25 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-3-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 10023842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).