[1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone

C17H21N3O2 — CID 110373271

IUPAC[1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-n2nc(C(=O)N3CCOCC3)cc2C)cc1C
InChIInChI=1S/C17H21N3O2/c1-12-4-5-15(10-13(12)2)20-14(3)11-16(18-20)17(21)19-6-8-22-9-7-19/h4-5,10-11H,6-9H2,1-3H3
InChIKeyVYWDNQDGPVJEKX-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.27
Rot. Bonds2

About [1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone

[1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 110373271) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is [1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID110373271
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name[1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-n2nc(C(=O)N3CCOCC3)cc2C)cc1C
InChIInChI=1S/C17H21N3O2/c1-12-4-5-15(10-13(12)2)20-14(3)11-16(18-20)17(21)19-6-8-22-9-7-19/h4-5,10-11H,6-9H2,1-3H3
InChIKeyVYWDNQDGPVJEKX-UHFFFAOYSA-N
XLogP2.27
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone (CID 110373271) is [1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone is Cc1ccc(-n2nc(C(=O)N3CCOCC3)cc2C)cc1C.
What is the InChIKey of [1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is VYWDNQDGPVJEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-4-5-15(10-13(12)2)20-14(3)11-16(18-20)17(21)19-6-8-22-9-7-19/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of [1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone?
[1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 299.37 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110373271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).