phenylmethanamine;5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C20H16F3N5O2 — CID 67132995

IUPACphenylmethanamine;5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESNCc1ccccc1.O=C(O)c1cc2nc(-c3ccccn3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C13H7F3N4O2.C7H9N/c14-13(15,16)10-5-8(7-3-1-2-4-17-7)18-11-6-9(12(21)22)19-20(10)11;8-6-7-4-2-1-3-5-7/h1-6H,(H,21,22);1-5H,6,8H2
InChIKeyBGJRPRMHSJZISS-UHFFFAOYSA-N
MW415.38 g/mol
LogP3.65
Rot. Bonds3

About phenylmethanamine;5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

phenylmethanamine;5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 67132995) has the molecular formula C20H16F3N5O2 and a molecular weight of 415.38 g/mol. Its IUPAC name is phenylmethanamine;5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Namephenylmethanamine;5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID67132995
Molecular FormulaC20H16F3N5O2
Molecular Weight415.38 g/mol
Exact Mass415.13
IUPAC Namephenylmethanamine;5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESNCc1ccccc1.O=C(O)c1cc2nc(-c3ccccn3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C13H7F3N4O2.C7H9N/c14-13(15,16)10-5-8(7-3-1-2-4-17-7)18-11-6-9(12(21)22)19-20(10)11;8-6-7-4-2-1-3-5-7/h1-6H,(H,21,22);1-5H,6,8H2
InChIKeyBGJRPRMHSJZISS-UHFFFAOYSA-N
XLogP3.65
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of phenylmethanamine;5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of phenylmethanamine;5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 67132995) is phenylmethanamine;5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for phenylmethanamine;5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for phenylmethanamine;5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is NCc1ccccc1.O=C(O)c1cc2nc(-c3ccccn3)cc(C(F)(F)F)n2n1.
What is the InChIKey of phenylmethanamine;5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is BGJRPRMHSJZISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N4O2.C7H9N/c14-13(15,16)10-5-8(7-3-1-2-4-17-7)18-11-6-9(12(21)22)19-20(10)11;8-6-7-4-2-1-3-5-7/h1-6H,(H,21,22);1-5H,6,8H2.
What are the key properties of phenylmethanamine;5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
phenylmethanamine;5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 415.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanamine;5-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 67132995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).