3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C17H20F3N7 — CID 75201524

IUPAC3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1c(C(F)(F)F)nn2ccc(CCc3nc(N4CCCC4)nn3C)nc12
InChIInChI=1S/C17H20F3N7/c1-11-14(17(18,19)20)23-27-10-7-12(21-15(11)27)5-6-13-22-16(24-25(13)2)26-8-3-4-9-26/h7,10H,3-6,8-9H2,1-2H3
InChIKeyYSLBQCQQAHYSOI-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.57
Rot. Bonds4

About 3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 75201524) has the molecular formula C17H20F3N7 and a molecular weight of 379.39 g/mol. Its IUPAC name is 3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID75201524
Molecular FormulaC17H20F3N7
Molecular Weight379.39 g/mol
Exact Mass379.17
IUPAC Name3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1c(C(F)(F)F)nn2ccc(CCc3nc(N4CCCC4)nn3C)nc12
InChIInChI=1S/C17H20F3N7/c1-11-14(17(18,19)20)23-27-10-7-12(21-15(11)27)5-6-13-22-16(24-25(13)2)26-8-3-4-9-26/h7,10H,3-6,8-9H2,1-2H3
InChIKeyYSLBQCQQAHYSOI-UHFFFAOYSA-N
XLogP2.57
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 75201524) is 3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1c(C(F)(F)F)nn2ccc(CCc3nc(N4CCCC4)nn3C)nc12.
What is the InChIKey of 3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is YSLBQCQQAHYSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N7/c1-11-14(17(18,19)20)23-27-10-7-12(21-15(11)27)5-6-13-22-16(24-25(13)2)26-8-3-4-9-26/h7,10H,3-6,8-9H2,1-2H3.
What are the key properties of 3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 379.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75201524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).