2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C11H11F3N4 — CID 84729342

IUPAC2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cnc2cc(C3CCNC3)nn2c1
InChIInChI=1S/C11H11F3N4/c12-11(13,14)8-5-16-10-3-9(17-18(10)6-8)7-1-2-15-4-7/h3,5-7,15H,1-2,4H2
InChIKeySRMQZHQKQYEKAV-UHFFFAOYSA-N
MW256.23 g/mol
LogP1.83
Rot. Bonds1

About 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 84729342) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID84729342
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cnc2cc(C3CCNC3)nn2c1
InChIInChI=1S/C11H11F3N4/c12-11(13,14)8-5-16-10-3-9(17-18(10)6-8)7-1-2-15-4-7/h3,5-7,15H,1-2,4H2
InChIKeySRMQZHQKQYEKAV-UHFFFAOYSA-N
XLogP1.83
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 84729342) is 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cnc2cc(C3CCNC3)nn2c1.
What is the InChIKey of 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is SRMQZHQKQYEKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c12-11(13,14)8-5-16-10-3-9(17-18(10)6-8)7-1-2-15-4-7/h3,5-7,15H,1-2,4H2.
What are the key properties of 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 256.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 84729342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).