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

C20H21FN4O — CID 68753268

IUPAC3-cyclopentyl-N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide
SMILESO=C(CCC1CCCC1)Nc1nn2cccnc2c1-c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O/c21-16-9-7-15(8-10-16)18-19(24-25-13-3-12-22-20(18)25)23-17(26)11-6-14-4-1-2-5-14/h3,7-10,12-14H,1-2,4-6,11H2,(H,23,24,26)
InChIKeyIBTQNXVJBPKEQU-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.44
Rot. Bonds5

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

3-cyclopentyl-N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide (PubChem CID 68753268) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide
PubChem CID68753268
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name3-cyclopentyl-N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide
SMILESO=C(CCC1CCCC1)Nc1nn2cccnc2c1-c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O/c21-16-9-7-15(8-10-16)18-19(24-25-13-3-12-22-20(18)25)23-17(26)11-6-14-4-1-2-5-14/h3,7-10,12-14H,1-2,4-6,11H2,(H,23,24,26)
InChIKeyIBTQNXVJBPKEQU-UHFFFAOYSA-N
XLogP4.44
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.44
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-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide (CID 68753268) is 3-cyclopentyl-N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide is O=C(CCC1CCCC1)Nc1nn2cccnc2c1-c1ccc(F)cc1.
What is the InChIKey of 3-cyclopentyl-N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
The InChIKey is IBTQNXVJBPKEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c21-16-9-7-15(8-10-16)18-19(24-25-13-3-12-22-20(18)25)23-17(26)11-6-14-4-1-2-5-14/h3,7-10,12-14H,1-2,4-6,11H2,(H,23,24,26).
What are the key properties of 3-cyclopentyl-N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
3-cyclopentyl-N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide has a molecular weight of 352.41 g/mol, XLogP of 4.44, 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-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide is sourced from PubChem (CID 68753268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).