5-methyl-7-(1,1,1-trifluoropropan-2-yloxy)pyrazolo[1,5-a]pyrimidine

C10H10F3N3O — CID 126954734

IUPAC5-methyl-7-(1,1,1-trifluoropropan-2-yloxy)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(OC(C)C(F)(F)F)n2nccc2n1
InChIInChI=1S/C10H10F3N3O/c1-6-5-9(17-7(2)10(11,12)13)16-8(15-6)3-4-14-16/h3-5,7H,1-2H3
InChIKeyZIUUFLFTVKLLKO-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.37
Rot. Bonds2

About 5-methyl-7-(1,1,1-trifluoropropan-2-yloxy)pyrazolo[1,5-a]pyrimidine

5-methyl-7-(1,1,1-trifluoropropan-2-yloxy)pyrazolo[1,5-a]pyrimidine (PubChem CID 126954734) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 5-methyl-7-(1,1,1-trifluoropropan-2-yloxy)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(1,1,1-trifluoropropan-2-yloxy)pyrazolo[1,5-a]pyrimidine
PubChem CID126954734
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name5-methyl-7-(1,1,1-trifluoropropan-2-yloxy)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(OC(C)C(F)(F)F)n2nccc2n1
InChIInChI=1S/C10H10F3N3O/c1-6-5-9(17-7(2)10(11,12)13)16-8(15-6)3-4-14-16/h3-5,7H,1-2H3
InChIKeyZIUUFLFTVKLLKO-UHFFFAOYSA-N
XLogP2.37
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(1,1,1-trifluoropropan-2-yloxy)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(1,1,1-trifluoropropan-2-yloxy)pyrazolo[1,5-a]pyrimidine (CID 126954734) is 5-methyl-7-(1,1,1-trifluoropropan-2-yloxy)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(1,1,1-trifluoropropan-2-yloxy)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(1,1,1-trifluoropropan-2-yloxy)pyrazolo[1,5-a]pyrimidine is Cc1cc(OC(C)C(F)(F)F)n2nccc2n1.
What is the InChIKey of 5-methyl-7-(1,1,1-trifluoropropan-2-yloxy)pyrazolo[1,5-a]pyrimidine?
The InChIKey is ZIUUFLFTVKLLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c1-6-5-9(17-7(2)10(11,12)13)16-8(15-6)3-4-14-16/h3-5,7H,1-2H3.
What are the key properties of 5-methyl-7-(1,1,1-trifluoropropan-2-yloxy)pyrazolo[1,5-a]pyrimidine?
5-methyl-7-(1,1,1-trifluoropropan-2-yloxy)pyrazolo[1,5-a]pyrimidine has a molecular weight of 245.20 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(1,1,1-trifluoropropan-2-yloxy)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 126954734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).