2-(4-chloropyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone

C13H15ClN4O2 — CID 22586636

IUPAC2-(4-chloropyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cc(C2CCCN2C(=O)Cn2cc(Cl)cn2)no1
InChIInChI=1S/C13H15ClN4O2/c1-9-5-11(16-20-9)12-3-2-4-18(12)13(19)8-17-7-10(14)6-15-17/h5-7,12H,2-4,8H2,1H3
InChIKeyJOIAVMZOQUNEDZ-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.20
Rot. Bonds3

About 2-(4-chloropyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone

2-(4-chloropyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone (PubChem CID 22586636) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
PubChem CID22586636
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name2-(4-chloropyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cc(C2CCCN2C(=O)Cn2cc(Cl)cn2)no1
InChIInChI=1S/C13H15ClN4O2/c1-9-5-11(16-20-9)12-3-2-4-18(12)13(19)8-17-7-10(14)6-15-17/h5-7,12H,2-4,8H2,1H3
InChIKeyJOIAVMZOQUNEDZ-UHFFFAOYSA-N
XLogP2.20
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone (CID 22586636) is 2-(4-chloropyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone is Cc1cc(C2CCCN2C(=O)Cn2cc(Cl)cn2)no1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is JOIAVMZOQUNEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-9-5-11(16-20-9)12-3-2-4-18(12)13(19)8-17-7-10(14)6-15-17/h5-7,12H,2-4,8H2,1H3.
What are the key properties of 2-(4-chloropyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
2-(4-chloropyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 294.74 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 22586636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).