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

C15H17F2N5O2 — CID 110203136

IUPAC1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1CC(F)(F)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C15H17F2N5O2/c16-15(17)8-11(14-19-13(20-24-14)10-2-3-10)22(9-15)12(23)4-7-21-6-1-5-18-21/h1,5-6,10-11H,2-4,7-9H2/t11-/m0/s1
InChIKeyCKGFCRMDUVNWPM-NSHDSACASA-N
MW337.33 g/mol
LogP2.14
Rot. Bonds5

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

1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one (PubChem CID 110203136) has the molecular formula C15H17F2N5O2 and a molecular weight of 337.33 g/mol. Its IUPAC name is 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
PubChem CID110203136
Molecular FormulaC15H17F2N5O2
Molecular Weight337.33 g/mol
Exact Mass337.14
IUPAC Name1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1CC(F)(F)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C15H17F2N5O2/c16-15(17)8-11(14-19-13(20-24-14)10-2-3-10)22(9-15)12(23)4-7-21-6-1-5-18-21/h1,5-6,10-11H,2-4,7-9H2/t11-/m0/s1
InChIKeyCKGFCRMDUVNWPM-NSHDSACASA-N
XLogP2.14
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.14
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]-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one (CID 110203136) is 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one is O=C(CCn1cccn1)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]-3-pyrazol-1-ylpropan-1-one?
The InChIKey is CKGFCRMDUVNWPM-NSHDSACASA-N. The full InChI is InChI=1S/C15H17F2N5O2/c16-15(17)8-11(14-19-13(20-24-14)10-2-3-10)22(9-15)12(23)4-7-21-6-1-5-18-21/h1,5-6,10-11H,2-4,7-9H2/t11-/m0/s1.
What are the key properties of 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one has a molecular weight of 337.33 g/mol, XLogP of 2.14, 5 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]-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 110203136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).