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

C14H11F3N4 — CID 117103244

IUPAC3-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ccnc2c(Cc3ccccc3C(F)(F)F)cnn12
InChIInChI=1S/C14H11F3N4/c15-14(16,17)11-4-2-1-3-9(11)7-10-8-20-21-12(18)5-6-19-13(10)21/h1-6,8H,7,18H2
InChIKeyLCZUUYMDGCDIID-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.92
Rot. Bonds2

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

3-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 117103244) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 3-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID117103244
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name3-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ccnc2c(Cc3ccccc3C(F)(F)F)cnn12
InChIInChI=1S/C14H11F3N4/c15-14(16,17)11-4-2-1-3-9(11)7-10-8-20-21-12(18)5-6-19-13(10)21/h1-6,8H,7,18H2
InChIKeyLCZUUYMDGCDIID-UHFFFAOYSA-N
XLogP2.92
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 117103244) is 3-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Nc1ccnc2c(Cc3ccccc3C(F)(F)F)cnn12.
What is the InChIKey of 3-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LCZUUYMDGCDIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c15-14(16,17)11-4-2-1-3-9(11)7-10-8-20-21-12(18)5-6-19-13(10)21/h1-6,8H,7,18H2.
What are the key properties of 3-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 292.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 117103244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).