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

C9H7F3N4O — CID 141038900

IUPAC5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2cc(C(F)(F)F)nn2cc1C(N)=O
InChIInChI=1S/C9H7F3N4O/c1-4-5(8(13)17)3-16-7(14-4)2-6(15-16)9(10,11)12/h2-3H,1H3,(H2,13,17)
InChIKeyUTAQIBWNXVBYGR-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.16
Rot. Bonds1

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

5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 141038900) has the molecular formula C9H7F3N4O and a molecular weight of 244.18 g/mol. Its IUPAC name is 5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID141038900
Molecular FormulaC9H7F3N4O
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC Name5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2cc(C(F)(F)F)nn2cc1C(N)=O
InChIInChI=1S/C9H7F3N4O/c1-4-5(8(13)17)3-16-7(14-4)2-6(15-16)9(10,11)12/h2-3H,1H3,(H2,13,17)
InChIKeyUTAQIBWNXVBYGR-UHFFFAOYSA-N
XLogP1.16
TPSA73.28 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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 141038900) is 5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1nc2cc(C(F)(F)F)nn2cc1C(N)=O.
What is the InChIKey of 5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is UTAQIBWNXVBYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O/c1-4-5(8(13)17)3-16-7(14-4)2-6(15-16)9(10,11)12/h2-3H,1H3,(H2,13,17).
What are the key properties of 5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 244.18 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 141038900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).