7-(4,4-difluoropiperidin-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine

C15H20F2N4 — CID 70731236

IUPAC7-(4,4-difluoropiperidin-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCC(F)(F)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C15H20F2N4/c1-4-12-9-13(20-7-5-15(16,17)6-8-20)21-14(18-12)10(2)11(3)19-21/h9H,4-8H2,1-3H3
InChIKeyZTGUTMLFDBGTTP-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.14
Rot. Bonds2

About 7-(4,4-difluoropiperidin-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine

7-(4,4-difluoropiperidin-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 70731236) has the molecular formula C15H20F2N4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 7-(4,4-difluoropiperidin-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4,4-difluoropiperidin-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID70731236
Molecular FormulaC15H20F2N4
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name7-(4,4-difluoropiperidin-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCC(F)(F)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C15H20F2N4/c1-4-12-9-13(20-7-5-15(16,17)6-8-20)21-14(18-12)10(2)11(3)19-21/h9H,4-8H2,1-3H3
InChIKeyZTGUTMLFDBGTTP-UHFFFAOYSA-N
XLogP3.14
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4,4-difluoropiperidin-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4,4-difluoropiperidin-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine (CID 70731236) is 7-(4,4-difluoropiperidin-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4,4-difluoropiperidin-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4,4-difluoropiperidin-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine is CCc1cc(N2CCC(F)(F)CC2)n2nc(C)c(C)c2n1.
What is the InChIKey of 7-(4,4-difluoropiperidin-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ZTGUTMLFDBGTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4/c1-4-12-9-13(20-7-5-15(16,17)6-8-20)21-14(18-12)10(2)11(3)19-21/h9H,4-8H2,1-3H3.
What are the key properties of 7-(4,4-difluoropiperidin-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine?
7-(4,4-difluoropiperidin-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 294.35 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,4-difluoropiperidin-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 70731236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).