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

C17H16FN5O2 — CID 129351832

IUPAC[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1noc([C@@H]2CCN(C(=O)c3cn[nH]c3-c3ccccc3F)C2)n1
InChIInChI=1S/C17H16FN5O2/c1-10-20-16(25-22-10)11-6-7-23(9-11)17(24)13-8-19-21-15(13)12-4-2-3-5-14(12)18/h2-5,8,11H,6-7,9H2,1H3,(H,19,21)/t11-/m1/s1
InChIKeyJFOMUKSNIKCIHY-LLVKDONJSA-N
MW341.35 g/mol
LogP2.54
Rot. Bonds3

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

[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 129351832) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID129351832
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1noc([C@@H]2CCN(C(=O)c3cn[nH]c3-c3ccccc3F)C2)n1
InChIInChI=1S/C17H16FN5O2/c1-10-20-16(25-22-10)11-6-7-23(9-11)17(24)13-8-19-21-15(13)12-4-2-3-5-14(12)18/h2-5,8,11H,6-7,9H2,1H3,(H,19,21)/t11-/m1/s1
InChIKeyJFOMUKSNIKCIHY-LLVKDONJSA-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-(2-fluorophenyl)-1H-pyrazol-4-yl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 129351832) is [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is Cc1noc([C@@H]2CCN(C(=O)c3cn[nH]c3-c3ccccc3F)C2)n1.
What is the InChIKey of [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is JFOMUKSNIKCIHY-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-10-20-16(25-22-10)11-6-7-23(9-11)17(24)13-8-19-21-15(13)12-4-2-3-5-14(12)18/h2-5,8,11H,6-7,9H2,1H3,(H,19,21)/t11-/m1/s1.
What are the key properties of [5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[(3R)-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-(2-fluorophenyl)-1H-pyrazol-4-yl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129351832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).