2-cyclopent-2-en-1-yl-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]acetamide

C23H23FN4O — CID 110217969

IUPAC2-cyclopent-2-en-1-yl-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]acetamide
SMILESO=C(CC1C=CCC1)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1
InChIInChI=1S/C23H23FN4O/c24-20-9-7-18(8-10-20)21-15-22(19-6-3-11-25-16-19)28(27-21)13-12-26-23(29)14-17-4-1-2-5-17/h1,3-4,6-11,15-17H,2,5,12-14H2,(H,26,29)
InChIKeyAOAWFYQWYJJQKE-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.22
Rot. Bonds7

About 2-cyclopent-2-en-1-yl-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]acetamide

2-cyclopent-2-en-1-yl-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]acetamide (PubChem CID 110217969) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]acetamide
PubChem CID110217969
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name2-cyclopent-2-en-1-yl-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]acetamide
SMILESO=C(CC1C=CCC1)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1
InChIInChI=1S/C23H23FN4O/c24-20-9-7-18(8-10-20)21-15-22(19-6-3-11-25-16-19)28(27-21)13-12-26-23(29)14-17-4-1-2-5-17/h1,3-4,6-11,15-17H,2,5,12-14H2,(H,26,29)
InChIKeyAOAWFYQWYJJQKE-UHFFFAOYSA-N
XLogP4.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]acetamide (CID 110217969) is 2-cyclopent-2-en-1-yl-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]acetamide is O=C(CC1C=CCC1)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]acetamide?
The InChIKey is AOAWFYQWYJJQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c24-20-9-7-18(8-10-20)21-15-22(19-6-3-11-25-16-19)28(27-21)13-12-26-23(29)14-17-4-1-2-5-17/h1,3-4,6-11,15-17H,2,5,12-14H2,(H,26,29).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]acetamide?
2-cyclopent-2-en-1-yl-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]acetamide has a molecular weight of 390.46 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 110217969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).