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

C20H19F3N4O2 — CID 155518903

IUPAC2-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESO=C(CC1CCCC1)Nc1nn2cccnc2c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)29-15-8-6-14(7-9-15)17-18(26-27-11-3-10-24-19(17)27)25-16(28)12-13-4-1-2-5-13/h3,6-11,13H,1-2,4-5,12H2,(H,25,26,28)
InChIKeyDJVYRYFCCRWBMS-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.81
Rot. Bonds5

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

2-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]acetamide (PubChem CID 155518903) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]acetamide
PubChem CID155518903
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name2-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESO=C(CC1CCCC1)Nc1nn2cccnc2c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)29-15-8-6-14(7-9-15)17-18(26-27-11-3-10-24-19(17)27)25-16(28)12-13-4-1-2-5-13/h3,6-11,13H,1-2,4-5,12H2,(H,25,26,28)
InChIKeyDJVYRYFCCRWBMS-UHFFFAOYSA-N
XLogP4.81
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]acetamide (CID 155518903) is 2-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]acetamide is O=C(CC1CCCC1)Nc1nn2cccnc2c1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
The InChIKey is DJVYRYFCCRWBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c21-20(22,23)29-15-8-6-14(7-9-15)17-18(26-27-11-3-10-24-19(17)27)25-16(28)12-13-4-1-2-5-13/h3,6-11,13H,1-2,4-5,12H2,(H,25,26,28).
What are the key properties of 2-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
2-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]acetamide has a molecular weight of 404.39 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 155518903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).