5-ethyl-2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C20H28F3N5 — CID 46955749

IUPAC5-ethyl-2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(C(F)(F)F)n2nc(C3CCCN3C3CCN(CC)CC3)cc2n1
InChIInChI=1S/C20H28F3N5/c1-3-14-12-18(20(21,22)23)28-19(24-14)13-16(25-28)17-6-5-9-27(17)15-7-10-26(4-2)11-8-15/h12-13,15,17H,3-11H2,1-2H3
InChIKeyPYAUCOOZRYPAFA-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.93
Rot. Bonds4

About 5-ethyl-2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-ethyl-2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 46955749) has the molecular formula C20H28F3N5 and a molecular weight of 395.47 g/mol. Its IUPAC name is 5-ethyl-2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID46955749
Molecular FormulaC20H28F3N5
Molecular Weight395.47 g/mol
Exact Mass395.23
IUPAC Name5-ethyl-2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(C(F)(F)F)n2nc(C3CCCN3C3CCN(CC)CC3)cc2n1
InChIInChI=1S/C20H28F3N5/c1-3-14-12-18(20(21,22)23)28-19(24-14)13-16(25-28)17-6-5-9-27(17)15-7-10-26(4-2)11-8-15/h12-13,15,17H,3-11H2,1-2H3
InChIKeyPYAUCOOZRYPAFA-UHFFFAOYSA-N
XLogP3.93
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-ethyl-2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 46955749) is 5-ethyl-2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-ethyl-2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-ethyl-2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is CCc1cc(C(F)(F)F)n2nc(C3CCCN3C3CCN(CC)CC3)cc2n1.
What is the InChIKey of 5-ethyl-2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is PYAUCOOZRYPAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N5/c1-3-14-12-18(20(21,22)23)28-19(24-14)13-16(25-28)17-6-5-9-27(17)15-7-10-26(4-2)11-8-15/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of 5-ethyl-2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-ethyl-2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 395.47 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46955749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).