(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone

C12H18ClN3O2 — CID 4769162

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H18ClN3O2/c1-4-16-11(10(13)5-14-16)12(17)15-6-8(2)18-9(3)7-15/h5,8-9H,4,6-7H2,1-3H3
InChIKeyJYDJTRXIIBFXPZ-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.81
Rot. Bonds2

About (4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone

(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 4769162) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID4769162
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H18ClN3O2/c1-4-16-11(10(13)5-14-16)12(17)15-6-8(2)18-9(3)7-15/h5,8-9H,4,6-7H2,1-3H3
InChIKeyJYDJTRXIIBFXPZ-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-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 4769162) is (4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone is CCn1ncc(Cl)c1C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is JYDJTRXIIBFXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-4-16-11(10(13)5-14-16)12(17)15-6-8(2)18-9(3)7-15/h5,8-9H,4,6-7H2,1-3H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
(4-chloro-1-ethylpyrazol-5-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-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 4769162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).