1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

C18H22FN3O2 — CID 45186590

IUPAC1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H22FN3O2/c1-14-6-8-20-22(14)9-7-18(23)21-10-11-24-17(13-21)12-15-2-4-16(19)5-3-15/h2-6,8,17H,7,9-13H2,1H3
InChIKeyKYTXSLMWBUKHEB-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.19
Rot. Bonds5

About 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (PubChem CID 45186590) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
PubChem CID45186590
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H22FN3O2/c1-14-6-8-20-22(14)9-7-18(23)21-10-11-24-17(13-21)12-15-2-4-16(19)5-3-15/h2-6,8,17H,7,9-13H2,1H3
InChIKeyKYTXSLMWBUKHEB-UHFFFAOYSA-N
XLogP2.19
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (CID 45186590) is 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is Cc1ccnn1CCC(=O)N1CCOC(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
The InChIKey is KYTXSLMWBUKHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-14-6-8-20-22(14)9-7-18(23)21-10-11-24-17(13-21)12-15-2-4-16(19)5-3-15/h2-6,8,17H,7,9-13H2,1H3.
What are the key properties of 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one?
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one has a molecular weight of 331.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 45186590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).