2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanone

C13H20ClN3O2 — CID 79077104

IUPAC2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanone
SMILESCCn1nc(C)c(Cl)c1CC(=O)C1CN(C)CCO1
InChIInChI=1S/C13H20ClN3O2/c1-4-17-10(13(14)9(2)15-17)7-11(18)12-8-16(3)5-6-19-12/h12H,4-8H2,1-3H3
InChIKeyPFNSWEHYQROGAN-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.31
Rot. Bonds4

About 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanone

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanone (PubChem CID 79077104) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanone
PubChem CID79077104
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanone
SMILESCCn1nc(C)c(Cl)c1CC(=O)C1CN(C)CCO1
InChIInChI=1S/C13H20ClN3O2/c1-4-17-10(13(14)9(2)15-17)7-11(18)12-8-16(3)5-6-19-12/h12H,4-8H2,1-3H3
InChIKeyPFNSWEHYQROGAN-UHFFFAOYSA-N
XLogP1.31
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanone?
The IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanone (CID 79077104) is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanone is CCn1nc(C)c(Cl)c1CC(=O)C1CN(C)CCO1.
What is the InChIKey of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanone?
The InChIKey is PFNSWEHYQROGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-4-17-10(13(14)9(2)15-17)7-11(18)12-8-16(3)5-6-19-12/h12H,4-8H2,1-3H3.
What are the key properties of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanone?
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanone has a molecular weight of 285.77 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanone is sourced from PubChem (CID 79077104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).