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

C8H5F3N4O — CID 69040085

IUPAC3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESNC(=O)c1nn2cccnc2c1C(F)(F)F
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)4-5(6(12)16)14-15-3-1-2-13-7(4)15/h1-3H,(H2,12,16)
InChIKeyYWLCEHSFKXPSSB-UHFFFAOYSA-N
MW230.15 g/mol
LogP0.85
Rot. Bonds1

About 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 69040085) has the molecular formula C8H5F3N4O and a molecular weight of 230.15 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID69040085
Molecular FormulaC8H5F3N4O
Molecular Weight230.15 g/mol
Exact Mass230.04
IUPAC Name3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESNC(=O)c1nn2cccnc2c1C(F)(F)F
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)4-5(6(12)16)14-15-3-1-2-13-7(4)15/h1-3H,(H2,12,16)
InChIKeyYWLCEHSFKXPSSB-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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Related Compounds

N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181591
N-allyl-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2171634
2-Methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 1478930
US9932325, Example 130
CID 132244703
6-Amino-2-methylpyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 118732278
6-Amino-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 118732279
2-Methyl-7-(trifluoromethyl)pyrazolo(1,5-a)pyrimidine-3-carbaldehyde
CID 25581325
2-Methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 53629150
6-Amino-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 118732280
N-(2,2-difluoroethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 134795310
6-Bromopyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3094292
Pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 23329870

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 69040085) is 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is NC(=O)c1nn2cccnc2c1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YWLCEHSFKXPSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4O/c9-8(10,11)4-5(6(12)16)14-15-3-1-2-13-7(4)15/h1-3H,(H2,12,16).
What are the key properties of 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-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 3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 69040085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).