7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C11H10F3N5O2 — CID 166190943

IUPAC7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESNC(=O)c1cnn2c(C(=O)NCCC(F)(F)F)ccnc12
InChIInChI=1S/C11H10F3N5O2/c12-11(13,14)2-4-17-10(21)7-1-3-16-9-6(8(15)20)5-18-19(7)9/h1,3,5H,2,4H2,(H2,15,20)(H,17,21)
InChIKeyDHEUXJSCWYWFLF-UHFFFAOYSA-N
MW301.23 g/mol
LogP0.51
Rot. Bonds4

About 7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 166190943) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is 7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID166190943
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC Name7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESNC(=O)c1cnn2c(C(=O)NCCC(F)(F)F)ccnc12
InChIInChI=1S/C11H10F3N5O2/c12-11(13,14)2-4-17-10(21)7-1-3-16-9-6(8(15)20)5-18-19(7)9/h1,3,5H,2,4H2,(H2,15,20)(H,17,21)
InChIKeyDHEUXJSCWYWFLF-UHFFFAOYSA-N
XLogP0.51
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 166190943) is 7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is NC(=O)c1cnn2c(C(=O)NCCC(F)(F)F)ccnc12.
What is the InChIKey of 7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is DHEUXJSCWYWFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c12-11(13,14)2-4-17-10(21)7-1-3-16-9-6(8(15)20)5-18-19(7)9/h1,3,5H,2,4H2,(H2,15,20)(H,17,21).
What are the key properties of 7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 301.23 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 166190943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).