2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone

C13H20ClN3O2 — CID 56725380

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCc1nn(CC(=O)N2CC(C)OC(C)C2)c(C)c1Cl
InChIInChI=1S/C13H20ClN3O2/c1-8-5-16(6-9(2)19-8)12(18)7-17-11(4)13(14)10(3)15-17/h8-9H,5-7H2,1-4H3
InChIKeyZGSLRZBKLSXKBA-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.79
Rot. Bonds2

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 56725380) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID56725380
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCc1nn(CC(=O)N2CC(C)OC(C)C2)c(C)c1Cl
InChIInChI=1S/C13H20ClN3O2/c1-8-5-16(6-9(2)19-8)12(18)7-17-11(4)13(14)10(3)15-17/h8-9H,5-7H2,1-4H3
InChIKeyZGSLRZBKLSXKBA-UHFFFAOYSA-N
XLogP1.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 4768989
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 51389961
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone
CID 9395553
1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanone
CID 72901712
1-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanone
CID 133118417
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanone
CID 154834841
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110023388
4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one
CID 2585263
1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63577626
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95758834
1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256951
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 5302443

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 56725380) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone is Cc1nn(CC(=O)N2CC(C)OC(C)C2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is ZGSLRZBKLSXKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-8-5-16(6-9(2)19-8)12(18)7-17-11(4)13(14)10(3)15-17/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 285.77 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 56725380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).