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

C19H24FN3O2 — CID 45209998

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CCOC(Cc3ccc(F)cc3)C2)c1C
InChIInChI=1S/C19H24FN3O2/c1-13-14(2)21-22-18(13)7-8-19(24)23-9-10-25-17(12-23)11-15-3-5-16(20)6-4-15/h3-6,17H,7-12H2,1-2H3,(H,21,22)
InChIKeyPWSXPZNQEUEIKN-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.57
Rot. Bonds5

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

3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one (PubChem CID 45209998) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one
PubChem CID45209998
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CCOC(Cc3ccc(F)cc3)C2)c1C
InChIInChI=1S/C19H24FN3O2/c1-13-14(2)21-22-18(13)7-8-19(24)23-9-10-25-17(12-23)11-15-3-5-16(20)6-4-15/h3-6,17H,7-12H2,1-2H3,(H,21,22)
InChIKeyPWSXPZNQEUEIKN-UHFFFAOYSA-N
XLogP2.57
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one (CID 45209998) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one is Cc1[nH]nc(CCC(=O)N2CCOC(Cc3ccc(F)cc3)C2)c1C.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one?
The InChIKey is PWSXPZNQEUEIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-13-14(2)21-22-18(13)7-8-19(24)23-9-10-25-17(12-23)11-15-3-5-16(20)6-4-15/h3-6,17H,7-12H2,1-2H3,(H,21,22).
What are the key properties of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one?
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one has a molecular weight of 345.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 45209998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).