1-[1-[4-chloro-3-(2,4-difluorophenyl)-5-methylpyrazol-1-yl]ethyl]-4-(4-chloro-3-methoxyphenyl)piperazine

C23H24Cl2F2N4O — CID 69002922

IUPAC1-[1-[4-chloro-3-(2,4-difluorophenyl)-5-methylpyrazol-1-yl]ethyl]-4-(4-chloro-3-methoxyphenyl)piperazine
SMILESCOc1cc(N2CCN(C(C)n3nc(-c4ccc(F)cc4F)c(Cl)c3C)CC2)ccc1Cl
InChIInChI=1S/C23H24Cl2F2N4O/c1-14-22(25)23(18-6-4-16(26)12-20(18)27)28-31(14)15(2)29-8-10-30(11-9-29)17-5-7-19(24)21(13-17)32-3/h4-7,12-13,15H,8-11H2,1-3H3
InChIKeyJJWSKGBKJMETTG-UHFFFAOYSA-N
MW481.37 g/mol
LogP5.79
Rot. Bonds5

About 1-[1-[4-chloro-3-(2,4-difluorophenyl)-5-methylpyrazol-1-yl]ethyl]-4-(4-chloro-3-methoxyphenyl)piperazine

1-[1-[4-chloro-3-(2,4-difluorophenyl)-5-methylpyrazol-1-yl]ethyl]-4-(4-chloro-3-methoxyphenyl)piperazine (PubChem CID 69002922) has the molecular formula C23H24Cl2F2N4O and a molecular weight of 481.37 g/mol. Its IUPAC name is 1-[1-[4-chloro-3-(2,4-difluorophenyl)-5-methylpyrazol-1-yl]ethyl]-4-(4-chloro-3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[1-[4-chloro-3-(2,4-difluorophenyl)-5-methylpyrazol-1-yl]ethyl]-4-(4-chloro-3-methoxyphenyl)piperazine
PubChem CID69002922
Molecular FormulaC23H24Cl2F2N4O
Molecular Weight481.37 g/mol
Exact Mass480.13
IUPAC Name1-[1-[4-chloro-3-(2,4-difluorophenyl)-5-methylpyrazol-1-yl]ethyl]-4-(4-chloro-3-methoxyphenyl)piperazine
SMILESCOc1cc(N2CCN(C(C)n3nc(-c4ccc(F)cc4F)c(Cl)c3C)CC2)ccc1Cl
InChIInChI=1S/C23H24Cl2F2N4O/c1-14-22(25)23(18-6-4-16(26)12-20(18)27)28-31(14)15(2)29-8-10-30(11-9-29)17-5-7-19(24)21(13-17)32-3/h4-7,12-13,15H,8-11H2,1-3H3
InChIKeyJJWSKGBKJMETTG-UHFFFAOYSA-N
XLogP5.79
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.37
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-Chloro-3-methoxy-phenyl)-piperazin-1-yl]-2-(4-chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone
CID 21070989
1-[(2S)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 57840363
1-[4-(4-Chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloro-5-methyl-3-propan-2-ylpyrazol-1-yl)ethanone
CID 57840435
1-[(3R)-4-(4-chloro-3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 57840460
1-[(3S)-4-(4-chloro-3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 57840512
2-[4-Chloro-5-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 57840515
1-[(2R)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 57840518
1-[4-(4-Chloro-3-methoxy-5-methylphenyl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 71718646
1-[4-(4-Chloro-3-methoxyphenyl)-piperazin-1-yl]-2-(4-chloro-5-phenyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone
CID 21070990
2-(4-Chloro-5-isopropyl-3-trifluoromethyl-pyrazol-1-yl)-1-[4-(4-chloro-3-methoxy-phenyl)-piperazin-1-yl]-ethanone
CID 21071070
1-[4-(4-Chloro-3-methoxyphenyl)-piperazin-1-yl]-2-(4-bromo-3-phenyl-5-trifluoromethyl-pyrazol-1-yl)-ethanone
CID 21070985
1-[4-(4-Chloro-3-methoxyphenyl)-piperazin-1-yl]-2-(4-chloro-3-[3-Fluoro-phenyl]-5-trifluoromethyl-pyrazol-1-yl)-ethanone
CID 21070986

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-chloro-3-(2,4-difluorophenyl)-5-methylpyrazol-1-yl]ethyl]-4-(4-chloro-3-methoxyphenyl)piperazine?
The IUPAC name of 1-[1-[4-chloro-3-(2,4-difluorophenyl)-5-methylpyrazol-1-yl]ethyl]-4-(4-chloro-3-methoxyphenyl)piperazine (CID 69002922) is 1-[1-[4-chloro-3-(2,4-difluorophenyl)-5-methylpyrazol-1-yl]ethyl]-4-(4-chloro-3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[1-[4-chloro-3-(2,4-difluorophenyl)-5-methylpyrazol-1-yl]ethyl]-4-(4-chloro-3-methoxyphenyl)piperazine?
The canonical SMILES for 1-[1-[4-chloro-3-(2,4-difluorophenyl)-5-methylpyrazol-1-yl]ethyl]-4-(4-chloro-3-methoxyphenyl)piperazine is COc1cc(N2CCN(C(C)n3nc(-c4ccc(F)cc4F)c(Cl)c3C)CC2)ccc1Cl.
What is the InChIKey of 1-[1-[4-chloro-3-(2,4-difluorophenyl)-5-methylpyrazol-1-yl]ethyl]-4-(4-chloro-3-methoxyphenyl)piperazine?
The InChIKey is JJWSKGBKJMETTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2F2N4O/c1-14-22(25)23(18-6-4-16(26)12-20(18)27)28-31(14)15(2)29-8-10-30(11-9-29)17-5-7-19(24)21(13-17)32-3/h4-7,12-13,15H,8-11H2,1-3H3.
What are the key properties of 1-[1-[4-chloro-3-(2,4-difluorophenyl)-5-methylpyrazol-1-yl]ethyl]-4-(4-chloro-3-methoxyphenyl)piperazine?
1-[1-[4-chloro-3-(2,4-difluorophenyl)-5-methylpyrazol-1-yl]ethyl]-4-(4-chloro-3-methoxyphenyl)piperazine has a molecular weight of 481.37 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-chloro-3-(2,4-difluorophenyl)-5-methylpyrazol-1-yl]ethyl]-4-(4-chloro-3-methoxyphenyl)piperazine is sourced from PubChem (CID 69002922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).