2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-morpholin-4-ylethanone

C17H21N3O2 — CID 3079323

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-morpholin-4-ylethanone
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCOCC1
InChIInChI=1S/C17H21N3O2/c1-13-16(12-17(21)19-8-10-22-11-9-19)14(2)20(18-13)15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3
InChIKeyAQLNDHIFSLDIDK-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.89
Rot. Bonds3

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-morpholin-4-ylethanone

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-morpholin-4-ylethanone (PubChem CID 3079323) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-morpholin-4-ylethanone
PubChem CID3079323
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-morpholin-4-ylethanone
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCOCC1
InChIInChI=1S/C17H21N3O2/c1-13-16(12-17(21)19-8-10-22-11-9-19)14(2)20(18-13)15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3
InChIKeyAQLNDHIFSLDIDK-UHFFFAOYSA-N
XLogP1.89
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-morpholin-4-ylethanone (CID 3079323) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-morpholin-4-ylethanone is Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCOCC1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-morpholin-4-ylethanone?
The InChIKey is AQLNDHIFSLDIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-16(12-17(21)19-8-10-22-11-9-19)14(2)20(18-13)15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-morpholin-4-ylethanone?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-morpholin-4-ylethanone has a molecular weight of 299.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 3079323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).