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

C9H7F3N4O — CID 90974286

IUPACN-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCNC(=O)c1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C9H7F3N4O/c1-13-8(17)5-3-14-7-2-6(9(10,11)12)15-16(7)4-5/h2-4H,1H3,(H,13,17)
InChIKeyBDGBBKUJSSYMCQ-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.11
Rot. Bonds1

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

N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 90974286) has the molecular formula C9H7F3N4O and a molecular weight of 244.18 g/mol. Its IUPAC name is N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID90974286
Molecular FormulaC9H7F3N4O
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC NameN-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCNC(=O)c1cnc2cc(C(F)(F)F)nn2c1
InChIInChI=1S/C9H7F3N4O/c1-13-8(17)5-3-14-7-2-6(9(10,11)12)15-16(7)4-5/h2-4H,1H3,(H,13,17)
InChIKeyBDGBBKUJSSYMCQ-UHFFFAOYSA-N
XLogP1.11
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 90974286) is N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is CNC(=O)c1cnc2cc(C(F)(F)F)nn2c1.
What is the InChIKey of N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is BDGBBKUJSSYMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O/c1-13-8(17)5-3-14-7-2-6(9(10,11)12)15-16(7)4-5/h2-4H,1H3,(H,13,17).
What are the key properties of N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 244.18 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 90974286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).