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

C9H7F3N4O — CID 91436729

IUPAC7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(N)=O)cnc2cc(C(F)(F)F)nn12
InChIInChI=1S/C9H7F3N4O/c1-4-5(8(13)17)3-14-7-2-6(9(10,11)12)15-16(4)7/h2-3H,1H3,(H2,13,17)
InChIKeyWATCVEXKVALFLP-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.16
Rot. Bonds1

About 7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 91436729) has the molecular formula C9H7F3N4O and a molecular weight of 244.18 g/mol. Its IUPAC name is 7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID91436729
Molecular FormulaC9H7F3N4O
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC Name7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(N)=O)cnc2cc(C(F)(F)F)nn12
InChIInChI=1S/C9H7F3N4O/c1-4-5(8(13)17)3-14-7-2-6(9(10,11)12)15-16(4)7/h2-3H,1H3,(H2,13,17)
InChIKeyWATCVEXKVALFLP-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 7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 91436729) is 7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(N)=O)cnc2cc(C(F)(F)F)nn12.
What is the InChIKey of 7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is WATCVEXKVALFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O/c1-4-5(8(13)17)3-14-7-2-6(9(10,11)12)15-16(4)7/h2-3H,1H3,(H2,13,17).
What are the key properties of 7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-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 7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 91436729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).