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

C8H5F3N4O — CID 20635702

IUPACN-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(NC(F)(F)F)c1cnc2ccnn2c1
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)14-7(16)5-3-12-6-1-2-13-15(6)4-5/h1-4H,(H,14,16)
InChIKeyYPYZCNUQROVUIM-UHFFFAOYSA-N
MW230.15 g/mol
LogP0.98
Rot. Bonds1

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

N-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 20635702) has the molecular formula C8H5F3N4O and a molecular weight of 230.15 g/mol. Its IUPAC name is N-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID20635702
Molecular FormulaC8H5F3N4O
Molecular Weight230.15 g/mol
Exact Mass230.04
IUPAC NameN-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESO=C(NC(F)(F)F)c1cnc2ccnn2c1
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)14-7(16)5-3-12-6-1-2-13-15(6)4-5/h1-4H,(H,14,16)
InChIKeyYPYZCNUQROVUIM-UHFFFAOYSA-N
XLogP0.98
TPSA59.29 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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 20635702) is N-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is O=C(NC(F)(F)F)c1cnc2ccnn2c1.
What is the InChIKey of N-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is YPYZCNUQROVUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4O/c9-8(10,11)14-7(16)5-3-12-6-1-2-13-15(6)4-5/h1-4H,(H,14,16).
What are the key properties of N-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 230.15 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20635702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).