(4-chloro-1-ethylpyrazol-3-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C15H18ClN5O2 — CID 87051866

IUPAC(4-chloro-1-ethylpyrazol-3-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCCn1cc(Cl)c(C(=O)N2CCC(c3nc(C4CC4)no3)C2)n1
InChIInChI=1S/C15H18ClN5O2/c1-2-21-8-11(16)12(18-21)15(22)20-6-5-10(7-20)14-17-13(19-23-14)9-3-4-9/h8-10H,2-7H2,1H3
InChIKeyZGSIZWGPHZWLNT-UHFFFAOYSA-N
MW335.80 g/mol
LogP2.45
Rot. Bonds4

About (4-chloro-1-ethylpyrazol-3-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

(4-chloro-1-ethylpyrazol-3-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 87051866) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-3-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-3-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID87051866
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name(4-chloro-1-ethylpyrazol-3-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCCn1cc(Cl)c(C(=O)N2CCC(c3nc(C4CC4)no3)C2)n1
InChIInChI=1S/C15H18ClN5O2/c1-2-21-8-11(16)12(18-21)15(22)20-6-5-10(7-20)14-17-13(19-23-14)9-3-4-9/h8-10H,2-7H2,1H3
InChIKeyZGSIZWGPHZWLNT-UHFFFAOYSA-N
XLogP2.45
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-3-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-3-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 87051866) is (4-chloro-1-ethylpyrazol-3-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-3-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-3-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is CCn1cc(Cl)c(C(=O)N2CCC(c3nc(C4CC4)no3)C2)n1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-3-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is ZGSIZWGPHZWLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c1-2-21-8-11(16)12(18-21)15(22)20-6-5-10(7-20)14-17-13(19-23-14)9-3-4-9/h8-10H,2-7H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-3-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
(4-chloro-1-ethylpyrazol-3-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 335.80 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-3-yl)-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 87051866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).