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

C17H20FN3O2 — CID 75470386

IUPAC1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
SMILESCc1n[nH]c(C)c1C1COCCN1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2/c1-11-17(12(2)20-19-11)15-10-23-8-7-21(15)16(22)9-13-3-5-14(18)6-4-13/h3-6,15H,7-10H2,1-2H3,(H,19,20)
InChIKeyBCZZRZAGGQLPDQ-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.31
Rot. Bonds3

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

1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 75470386) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
PubChem CID75470386
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
SMILESCc1n[nH]c(C)c1C1COCCN1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2/c1-11-17(12(2)20-19-11)15-10-23-8-7-21(15)16(22)9-13-3-5-14(18)6-4-13/h3-6,15H,7-10H2,1-2H3,(H,19,20)
InChIKeyBCZZRZAGGQLPDQ-UHFFFAOYSA-N
XLogP2.31
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.31
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-fluorophenyl)ethanone?
The IUPAC name of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone (CID 75470386) is 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone is Cc1n[nH]c(C)c1C1COCCN1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is BCZZRZAGGQLPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-11-17(12(2)20-19-11)15-10-23-8-7-21(15)16(22)9-13-3-5-14(18)6-4-13/h3-6,15H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone?
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 317.36 g/mol, XLogP of 2.31, 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-fluorophenyl)ethanone is sourced from PubChem (CID 75470386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).