2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

C8H5F3N4O — CID 67412555

IUPAC2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESNC(=O)c1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)5-1-6-13-2-4(7(12)16)3-15(6)14-5/h1-3H,(H2,12,16)
InChIKeyMYWICRZJVVPHBH-UHFFFAOYSA-N
MW230.15 g/mol
LogP0.85
Rot. Bonds1

About 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 67412555) has the molecular formula C8H5F3N4O and a molecular weight of 230.15 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID67412555
Molecular FormulaC8H5F3N4O
Molecular Weight230.15 g/mol
Exact Mass230.04
IUPAC Name2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESNC(=O)c1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)5-1-6-13-2-4(7(12)16)3-15(6)14-5/h1-3H,(H2,12,16)
InChIKeyMYWICRZJVVPHBH-UHFFFAOYSA-N
XLogP0.85
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 67412555) is 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is NC(=O)c1cnc2cc(C(F)(F)F)nn2c1.
What is the InChIKey of 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is MYWICRZJVVPHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4O/c9-8(10,11)5-1-6-13-2-4(7(12)16)3-15(6)14-5/h1-3H,(H2,12,16).
What are the key properties of 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 230.15 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 67412555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).