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

C21H21F3N4O2 — CID 68748693

IUPAC3-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide
SMILESO=C(CCC1CCCC1)Nc1nn2cccnc2c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H21F3N4O2/c22-21(23,24)30-16-9-7-15(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)
InChIKeyZTXHADSRCXKSCV-UHFFFAOYSA-N
MW418.42 g/mol
LogP5.20
Rot. Bonds6

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

3-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide (PubChem CID 68748693) has the molecular formula C21H21F3N4O2 and a molecular weight of 418.42 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide
PubChem CID68748693
Molecular FormulaC21H21F3N4O2
Molecular Weight418.42 g/mol
Exact Mass418.16
IUPAC Name3-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide
SMILESO=C(CCC1CCCC1)Nc1nn2cccnc2c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H21F3N4O2/c22-21(23,24)30-16-9-7-15(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)
InChIKeyZTXHADSRCXKSCV-UHFFFAOYSA-N
XLogP5.20
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.42
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide (CID 68748693) is 3-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide is O=C(CCC1CCCC1)Nc1nn2cccnc2c1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
The InChIKey is ZTXHADSRCXKSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O2/c22-21(23,24)30-16-9-7-15(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-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
3-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide has a molecular weight of 418.42 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide is sourced from PubChem (CID 68748693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).