[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C17H16FN5O2 — CID 128988406

IUPAC[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3cn[nH]c3-c3ccc(F)cc3)C2)n1
InChIInChI=1S/C17H16FN5O2/c1-10-20-16(25-22-10)12-6-7-23(9-12)17(24)14-8-19-21-15(14)11-2-4-13(18)5-3-11/h2-5,8,12H,6-7,9H2,1H3,(H,19,21)
InChIKeyGKNCLCFMOHUHFE-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.54
Rot. Bonds3

About [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 128988406) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID128988406
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3cn[nH]c3-c3ccc(F)cc3)C2)n1
InChIInChI=1S/C17H16FN5O2/c1-10-20-16(25-22-10)12-6-7-23(9-12)17(24)14-8-19-21-15(14)11-2-4-13(18)5-3-11/h2-5,8,12H,6-7,9H2,1H3,(H,19,21)
InChIKeyGKNCLCFMOHUHFE-UHFFFAOYSA-N
XLogP2.54
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 128988406) is [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is Cc1noc(C2CCN(C(=O)c3cn[nH]c3-c3ccc(F)cc3)C2)n1.
What is the InChIKey of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is GKNCLCFMOHUHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-10-20-16(25-22-10)12-6-7-23(9-12)17(24)14-8-19-21-15(14)11-2-4-13(18)5-3-11/h2-5,8,12H,6-7,9H2,1H3,(H,19,21).
What are the key properties of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 341.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 128988406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).