(4-chloro-1-ethylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone

C12H18ClN3O2 — CID 19575131

IUPAC(4-chloro-1-ethylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCCn1cc(Cl)c(C(=O)N2CC(C)OC(C)C2)n1
InChIInChI=1S/C12H18ClN3O2/c1-4-16-7-10(13)11(14-16)12(17)15-5-8(2)18-9(3)6-15/h7-9H,4-6H2,1-3H3
InChIKeyUJGNBHNBMUEFKS-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.81
Rot. Bonds2

About (4-chloro-1-ethylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone

(4-chloro-1-ethylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 19575131) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID19575131
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name(4-chloro-1-ethylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCCn1cc(Cl)c(C(=O)N2CC(C)OC(C)C2)n1
InChIInChI=1S/C12H18ClN3O2/c1-4-16-7-10(13)11(14-16)12(17)15-5-8(2)18-9(3)6-15/h7-9H,4-6H2,1-3H3
InChIKeyUJGNBHNBMUEFKS-UHFFFAOYSA-N
XLogP1.81
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 19575131) is (4-chloro-1-ethylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone is CCn1cc(Cl)c(C(=O)N2CC(C)OC(C)C2)n1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is UJGNBHNBMUEFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-4-16-7-10(13)11(14-16)12(17)15-5-8(2)18-9(3)6-15/h7-9H,4-6H2,1-3H3.
What are the key properties of (4-chloro-1-ethylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
(4-chloro-1-ethylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 271.75 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 19575131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).