1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-methylphenyl)ethanone

C18H23N3O2 — CID 75470401

IUPAC1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCOCC2c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C18H23N3O2/c1-12-4-6-15(7-5-12)10-17(22)21-8-9-23-11-16(21)18-13(2)19-20-14(18)3/h4-7,16H,8-11H2,1-3H3,(H,19,20)
InChIKeyUNJYMTAKCKOFKY-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.48
Rot. Bonds3

About 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-methylphenyl)ethanone

1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-methylphenyl)ethanone (PubChem CID 75470401) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
PubChem CID75470401
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCOCC2c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C18H23N3O2/c1-12-4-6-15(7-5-12)10-17(22)21-8-9-23-11-16(21)18-13(2)19-20-14(18)3/h4-7,16H,8-11H2,1-3H3,(H,19,20)
InChIKeyUNJYMTAKCKOFKY-UHFFFAOYSA-N
XLogP2.48
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-methylphenyl)ethanone (CID 75470401) is 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)N2CCOCC2c2c(C)n[nH]c2C)cc1.
What is the InChIKey of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is UNJYMTAKCKOFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-4-6-15(7-5-12)10-17(22)21-8-9-23-11-16(21)18-13(2)19-20-14(18)3/h4-7,16H,8-11H2,1-3H3,(H,19,20).
What are the key properties of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-methylphenyl)ethanone?
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 313.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 75470401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).