[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[2-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]methanone

C27H24ClFN4O2 — CID 54582966

IUPAC[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[2-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2OCc2cccc(F)c2)CC1
InChIInChI=1S/C27H24ClFN4O2/c28-21-10-8-20(9-11-21)23-17-24(31-30-23)27(34)33-14-12-32(13-15-33)25-6-1-2-7-26(25)35-18-19-4-3-5-22(29)16-19/h1-11,16-17H,12-15,18H2,(H,30,31)
InChIKeyLUMGDOAZBANGEZ-UHFFFAOYSA-N
MW490.97 g/mol
LogP5.41
Rot. Bonds6

About [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[2-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]methanone

[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[2-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]methanone (PubChem CID 54582966) has the molecular formula C27H24ClFN4O2 and a molecular weight of 490.97 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[2-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[2-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]methanone
PubChem CID54582966
Molecular FormulaC27H24ClFN4O2
Molecular Weight490.97 g/mol
Exact Mass490.16
IUPAC Name[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[2-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2OCc2cccc(F)c2)CC1
InChIInChI=1S/C27H24ClFN4O2/c28-21-10-8-20(9-11-21)23-17-24(31-30-23)27(34)33-14-12-32(13-15-33)25-6-1-2-7-26(25)35-18-19-4-3-5-22(29)16-19/h1-11,16-17H,12-15,18H2,(H,30,31)
InChIKeyLUMGDOAZBANGEZ-UHFFFAOYSA-N
XLogP5.41
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.97
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[2-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[2-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]methanone?
The IUPAC name of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[2-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]methanone (CID 54582966) is [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[2-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[2-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]methanone?
The canonical SMILES for [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[2-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]methanone is O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CCN(c2ccccc2OCc2cccc(F)c2)CC1.
What is the InChIKey of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[2-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]methanone?
The InChIKey is LUMGDOAZBANGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN4O2/c28-21-10-8-20(9-11-21)23-17-24(31-30-23)27(34)33-14-12-32(13-15-33)25-6-1-2-7-26(25)35-18-19-4-3-5-22(29)16-19/h1-11,16-17H,12-15,18H2,(H,30,31).
What are the key properties of [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[2-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]methanone?
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[2-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]methanone has a molecular weight of 490.97 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-[2-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 54582966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).