[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

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Related Compounds

1H-indazol-3-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2572779
(4-(2-methoxyphenyl)piperazin-1-yl)(3-phenyl-1H-pyrazol-5-yl)methanone
CID 8867347
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
CID 16313544
(4-(2-methoxyphenyl)piperazin-1-yl)(3-p-tolyl-1H-pyrazol-5-yl)methanone
CID 20864936
1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]-4-(2-methoxyphenyl)piperazine
CID 20906556
1-[3-(4-Chlorophenyl)-1H-pyrazole-5-carbonyl]-4-(2-methoxyphenyl)piperazine
CID 20906619
(3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone
CID 51351496
(5-(4-chlorophenyl)-1-methyl-1H-pyrazol-3-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone
CID 51351504
(S)-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(2-methoxyphenyl)-2-methylpiperazin-1-yl)methanone
CID 54579946
(3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl)methanone
CID 54579947
(4-(2-methoxyphenyl)piperazin-1-yl)(3-(4-(trifluoromethyl)phenyl)-1H-pyrazol-5-yl)methanone
CID 54580928
(4-(5-chloro-2-methoxyphenyl)piperazin-1-yl)(3-(4-chlorophenyl)-1H-pyrazol-5-yl)methanone
CID 54580975

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).