pyrrolidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

C16H13F3N4OS — CID 1111041

IUPACpyrrolidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESO=C(c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12)N1CCCC1
InChIInChI=1S/C16H13F3N4OS/c17-16(18,19)13-8-11(12-4-3-7-25-12)21-14-10(9-20-23(13)14)15(24)22-5-1-2-6-22/h3-4,7-9H,1-2,5-6H2
InChIKeyFJFNWBHFSODNJL-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.71
Rot. Bonds2

About pyrrolidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

pyrrolidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (PubChem CID 1111041) has the molecular formula C16H13F3N4OS and a molecular weight of 366.37 g/mol. Its IUPAC name is pyrrolidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
PubChem CID1111041
Molecular FormulaC16H13F3N4OS
Molecular Weight366.37 g/mol
Exact Mass366.08
IUPAC Namepyrrolidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESO=C(c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12)N1CCCC1
InChIInChI=1S/C16H13F3N4OS/c17-16(18,19)13-8-11(12-4-3-7-25-12)21-14-10(9-20-23(13)14)15(24)22-5-1-2-6-22/h3-4,7-9H,1-2,5-6H2
InChIKeyFJFNWBHFSODNJL-UHFFFAOYSA-N
XLogP3.71
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 1111041) is pyrrolidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is O=C(c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The InChIKey is FJFNWBHFSODNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS/c17-16(18,19)13-8-11(12-4-3-7-25-12)21-14-10(9-20-23(13)14)15(24)22-5-1-2-6-22/h3-4,7-9H,1-2,5-6H2.
What are the key properties of pyrrolidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
pyrrolidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone has a molecular weight of 366.37 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 1111041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).