[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

C17H16FN5O2 — CID 124760375

IUPAC[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC[C@@H](c2ncon2)C1
InChIInChI=1S/C17H16FN5O2/c1-22-15(8-14(20-22)11-2-4-13(18)5-3-11)17(24)23-7-6-12(9-23)16-19-10-25-21-16/h2-5,8,10,12H,6-7,9H2,1H3/t12-/m1/s1
InChIKeyLSGXMCJOPQFLFV-GFCCVEGCSA-N
MW341.35 g/mol
LogP2.24
Rot. Bonds3

About [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 124760375) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID124760375
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC[C@@H](c2ncon2)C1
InChIInChI=1S/C17H16FN5O2/c1-22-15(8-14(20-22)11-2-4-13(18)5-3-11)17(24)23-7-6-12(9-23)16-19-10-25-21-16/h2-5,8,10,12H,6-7,9H2,1H3/t12-/m1/s1
InChIKeyLSGXMCJOPQFLFV-GFCCVEGCSA-N
XLogP2.24
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-(4-fluorophenyl)azepan-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 99979716
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 119102331
(2-methylpyrazol-3-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124725379
(2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019588
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(3-phenylazepan-1-yl)methanone
CID 86263894
(2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 42758584
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71787059
(3,4-difluorophenyl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 119102318
(3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124759582
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 90584942
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 122268152
[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 124761234

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 124760375) is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC[C@@H](c2ncon2)C1.
What is the InChIKey of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is LSGXMCJOPQFLFV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-22-15(8-14(20-22)11-2-4-13(18)5-3-11)17(24)23-7-6-12(9-23)16-19-10-25-21-16/h2-5,8,10,12H,6-7,9H2,1H3/t12-/m1/s1.
What are the key properties of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 341.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124760375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).