1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-pyrazol-1-ylethanone

C14H15F2N5O2 — CID 110203128

IUPAC1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CC(F)(F)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C14H15F2N5O2/c15-14(16)6-10(13-18-12(19-23-13)9-2-3-9)21(8-14)11(22)7-20-5-1-4-17-20/h1,4-5,9-10H,2-3,6-8H2/t10-/m0/s1
InChIKeyOCFIZTQMYKOTQB-JTQLQIEISA-N
MW323.30 g/mol
LogP1.75
Rot. Bonds4

About 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-pyrazol-1-ylethanone

1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 110203128) has the molecular formula C14H15F2N5O2 and a molecular weight of 323.30 g/mol. Its IUPAC name is 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID110203128
Molecular FormulaC14H15F2N5O2
Molecular Weight323.30 g/mol
Exact Mass323.12
IUPAC Name1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CC(F)(F)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C14H15F2N5O2/c15-14(16)6-10(13-18-12(19-23-13)9-2-3-9)21(8-14)11(22)7-20-5-1-4-17-20/h1,4-5,9-10H,2-3,6-8H2/t10-/m0/s1
InChIKeyOCFIZTQMYKOTQB-JTQLQIEISA-N
XLogP1.75
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-pyrazol-1-ylethanone (CID 110203128) is 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)N1CC(F)(F)C[C@H]1c1nc(C2CC2)no1.
What is the InChIKey of 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is OCFIZTQMYKOTQB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15F2N5O2/c15-14(16)6-10(13-18-12(19-23-13)9-2-3-9)21(8-14)11(22)7-20-5-1-4-17-20/h1,4-5,9-10H,2-3,6-8H2/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 323.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 110203128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).