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

C11H13N5O2 — CID 121019588

IUPAC(2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCC(c2ncon2)C1
InChIInChI=1S/C11H13N5O2/c1-15-9(2-4-13-15)11(17)16-5-3-8(6-16)10-12-7-18-14-10/h2,4,7-8H,3,5-6H2,1H3
InChIKeyFDBTVEZRLSNVMK-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.43
Rot. Bonds2

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

(2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 121019588) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID121019588
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name(2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCC(c2ncon2)C1
InChIInChI=1S/C11H13N5O2/c1-15-9(2-4-13-15)11(17)16-5-3-8(6-16)10-12-7-18-14-10/h2,4,7-8H,3,5-6H2,1H3
InChIKeyFDBTVEZRLSNVMK-UHFFFAOYSA-N
XLogP0.43
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 121019588) is (2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is Cn1nccc1C(=O)N1CCC(c2ncon2)C1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is FDBTVEZRLSNVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-15-9(2-4-13-15)11(17)16-5-3-8(6-16)10-12-7-18-14-10/h2,4,7-8H,3,5-6H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 247.26 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121019588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).