5-ethyl-2,3-dimethyl-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

C16H22F3N5 — CID 56899245

IUPAC5-ethyl-2,3-dimethyl-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCN(CC(F)(F)F)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H22F3N5/c1-4-13-9-14(24-15(20-13)11(2)12(3)21-24)23-7-5-22(6-8-23)10-16(17,18)19/h9H,4-8,10H2,1-3H3
InChIKeyXBXDPPRVIXFSNT-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.59
Rot. Bonds3

About 5-ethyl-2,3-dimethyl-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

5-ethyl-2,3-dimethyl-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 56899245) has the molecular formula C16H22F3N5 and a molecular weight of 341.38 g/mol. Its IUPAC name is 5-ethyl-2,3-dimethyl-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2,3-dimethyl-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID56899245
Molecular FormulaC16H22F3N5
Molecular Weight341.38 g/mol
Exact Mass341.18
IUPAC Name5-ethyl-2,3-dimethyl-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCN(CC(F)(F)F)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H22F3N5/c1-4-13-9-14(24-15(20-13)11(2)12(3)21-24)23-7-5-22(6-8-23)10-16(17,18)19/h9H,4-8,10H2,1-3H3
InChIKeyXBXDPPRVIXFSNT-UHFFFAOYSA-N
XLogP2.59
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dimethyl-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-ethyl-2,3-dimethyl-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 56899245) is 5-ethyl-2,3-dimethyl-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-ethyl-2,3-dimethyl-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-ethyl-2,3-dimethyl-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is CCc1cc(N2CCN(CC(F)(F)F)CC2)n2nc(C)c(C)c2n1.
What is the InChIKey of 5-ethyl-2,3-dimethyl-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is XBXDPPRVIXFSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5/c1-4-13-9-14(24-15(20-13)11(2)12(3)21-24)23-7-5-22(6-8-23)10-16(17,18)19/h9H,4-8,10H2,1-3H3.
What are the key properties of 5-ethyl-2,3-dimethyl-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
5-ethyl-2,3-dimethyl-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 341.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dimethyl-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56899245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).