3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine

C13H9F3N4 — CID 117103260

IUPAC3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ccnc2c(-c3cccc(C(F)(F)F)c3)cnn12
InChIInChI=1S/C13H9F3N4/c14-13(15,16)9-3-1-2-8(6-9)10-7-19-20-11(17)4-5-18-12(10)20/h1-7H,17H2
InChIKeyWZZMDGROBNBARG-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.00
Rot. Bonds1

About 3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine

3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 117103260) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID117103260
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ccnc2c(-c3cccc(C(F)(F)F)c3)cnn12
InChIInChI=1S/C13H9F3N4/c14-13(15,16)9-3-1-2-8(6-9)10-7-19-20-11(17)4-5-18-12(10)20/h1-7H,17H2
InChIKeyWZZMDGROBNBARG-UHFFFAOYSA-N
XLogP3.00
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(trifluoromethyl)-3-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole
CID 10023842
1-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
CID 23329841
4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 69406899
N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473906
N'-hydroxy-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboximidamide
CID 2741018
1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 4593193
5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
CID 117127400
cyclopentane;3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143439835
3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 140652262
8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 70654559
5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 59662442
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 117103260) is 3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine is Nc1ccnc2c(-c3cccc(C(F)(F)F)c3)cnn12.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WZZMDGROBNBARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c14-13(15,16)9-3-1-2-8(6-9)10-7-19-20-11(17)4-5-18-12(10)20/h1-7H,17H2.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 278.24 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 117103260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).