1-[2-[4-[(4-fluorophenyl)methyl]phenyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one

C23H24FN3O2 — CID 170732208

IUPAC1-[2-[4-[(4-fluorophenyl)methyl]phenyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1CCOC(c2ccc(Cc3ccc(F)cc3)cc2)C1
InChIInChI=1S/C23H24FN3O2/c24-21-8-4-19(5-9-21)16-18-2-6-20(7-3-18)22-17-26(14-15-29-22)23(28)10-13-27-12-1-11-25-27/h1-9,11-12,22H,10,13-17H2
InChIKeyACFDWRVUANKFTP-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.60
Rot. Bonds6

About 1-[2-[4-[(4-fluorophenyl)methyl]phenyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one

1-[2-[4-[(4-fluorophenyl)methyl]phenyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one (PubChem CID 170732208) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 1-[2-[4-[(4-fluorophenyl)methyl]phenyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-[4-[(4-fluorophenyl)methyl]phenyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
PubChem CID170732208
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name1-[2-[4-[(4-fluorophenyl)methyl]phenyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1CCOC(c2ccc(Cc3ccc(F)cc3)cc2)C1
InChIInChI=1S/C23H24FN3O2/c24-21-8-4-19(5-9-21)16-18-2-6-20(7-3-18)22-17-26(14-15-29-22)23(28)10-13-27-12-1-11-25-27/h1-9,11-12,22H,10,13-17H2
InChIKeyACFDWRVUANKFTP-UHFFFAOYSA-N
XLogP3.60
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-fluorophenyl)methyl]phenyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[2-[4-[(4-fluorophenyl)methyl]phenyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one (CID 170732208) is 1-[2-[4-[(4-fluorophenyl)methyl]phenyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[2-[4-[(4-fluorophenyl)methyl]phenyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[2-[4-[(4-fluorophenyl)methyl]phenyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one is O=C(CCn1cccn1)N1CCOC(c2ccc(Cc3ccc(F)cc3)cc2)C1.
What is the InChIKey of 1-[2-[4-[(4-fluorophenyl)methyl]phenyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one?
The InChIKey is ACFDWRVUANKFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-21-8-4-19(5-9-21)16-18-2-6-20(7-3-18)22-17-26(14-15-29-22)23(28)10-13-27-12-1-11-25-27/h1-9,11-12,22H,10,13-17H2.
What are the key properties of 1-[2-[4-[(4-fluorophenyl)methyl]phenyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one?
1-[2-[4-[(4-fluorophenyl)methyl]phenyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one has a molecular weight of 393.46 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-fluorophenyl)methyl]phenyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 170732208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).