3-cyclopentyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide

C21H21F3N4O — CID 68747418

IUPAC3-cyclopentyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide
SMILESO=C(CCC1CCCC1)Nc1nn2cccnc2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H21F3N4O/c22-21(23,24)16-9-7-15(8-10-16)18-19(27-28-13-3-12-25-20(18)28)26-17(29)11-6-14-4-1-2-5-14/h3,7-10,12-14H,1-2,4-6,11H2,(H,26,27,29)
InChIKeyXCNDMSWDIUQYLG-UHFFFAOYSA-N
MW402.42 g/mol
LogP5.32
Rot. Bonds5

About 3-cyclopentyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide

3-cyclopentyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide (PubChem CID 68747418) has the molecular formula C21H21F3N4O and a molecular weight of 402.42 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide
PubChem CID68747418
Molecular FormulaC21H21F3N4O
Molecular Weight402.42 g/mol
Exact Mass402.17
IUPAC Name3-cyclopentyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide
SMILESO=C(CCC1CCCC1)Nc1nn2cccnc2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H21F3N4O/c22-21(23,24)16-9-7-15(8-10-16)18-19(27-28-13-3-12-25-20(18)28)26-17(29)11-6-14-4-1-2-5-14/h3,7-10,12-14H,1-2,4-6,11H2,(H,26,27,29)
InChIKeyXCNDMSWDIUQYLG-UHFFFAOYSA-N
XLogP5.32
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.42
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide (CID 68747418) is 3-cyclopentyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide is O=C(CCC1CCCC1)Nc1nn2cccnc2c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-cyclopentyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
The InChIKey is XCNDMSWDIUQYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O/c22-21(23,24)16-9-7-15(8-10-16)18-19(27-28-13-3-12-25-20(18)28)26-17(29)11-6-14-4-1-2-5-14/h3,7-10,12-14H,1-2,4-6,11H2,(H,26,27,29).
What are the key properties of 3-cyclopentyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
3-cyclopentyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide has a molecular weight of 402.42 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide is sourced from PubChem (CID 68747418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).