2-[4-chloro-5-ethenyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone

C22H24Cl2N6O2 — CID 149077735

IUPAC2-[4-chloro-5-ethenyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
SMILESC=Cc1c(Cl)c(-n2ccnc2C)nn1CC(=O)N1CCN(c2ccc(Cl)c(OC)c2)CC1
InChIInChI=1S/C22H24Cl2N6O2/c1-4-18-21(24)22(29-8-7-25-15(29)2)26-30(18)14-20(31)28-11-9-27(10-12-28)16-5-6-17(23)19(13-16)32-3/h4-8,13H,1,9-12,14H2,2-3H3
InChIKeyQPNDDMQZOGALSV-UHFFFAOYSA-N
MW475.38 g/mol
LogP3.68
Rot. Bonds6

About 2-[4-chloro-5-ethenyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone

2-[4-chloro-5-ethenyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 149077735) has the molecular formula C22H24Cl2N6O2 and a molecular weight of 475.38 g/mol. Its IUPAC name is 2-[4-chloro-5-ethenyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-chloro-5-ethenyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID149077735
Molecular FormulaC22H24Cl2N6O2
Molecular Weight475.38 g/mol
Exact Mass474.13
IUPAC Name2-[4-chloro-5-ethenyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
SMILESC=Cc1c(Cl)c(-n2ccnc2C)nn1CC(=O)N1CCN(c2ccc(Cl)c(OC)c2)CC1
InChIInChI=1S/C22H24Cl2N6O2/c1-4-18-21(24)22(29-8-7-25-15(29)2)26-30(18)14-20(31)28-11-9-27(10-12-28)16-5-6-17(23)19(13-16)32-3/h4-8,13H,1,9-12,14H2,2-3H3
InChIKeyQPNDDMQZOGALSV-UHFFFAOYSA-N
XLogP3.68
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ccx-354
CID 135565361
US9981950, Example 97
CID 118870093
US9981950, Example 93
CID 118870103
US9981950, Example 95
CID 118870141
US9981950, Example 99
CID 118870165
US9981950, Example 96
CID 118870179
US10071988, Example 379
CID 130302188
US10071988, Example 375
CID 130302200
US10071988, Example 28
CID 130309391
US10071988, Example 60
CID 130309419
(S)-3-(2-(((S)-1-(1-(4-chloro-3-methoxyphenyl)-1H-imidazol-4-yl)ethyl)amino)pyrimidine-4-yl)-4-isopropyl-1-methylimidazolidine-2-one
CID 130469698
US11084823, Example 46
CID 135329729

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-ethenyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-chloro-5-ethenyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone (CID 149077735) is 2-[4-chloro-5-ethenyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[4-chloro-5-ethenyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-chloro-5-ethenyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone is C=Cc1c(Cl)c(-n2ccnc2C)nn1CC(=O)N1CCN(c2ccc(Cl)c(OC)c2)CC1.
What is the InChIKey of 2-[4-chloro-5-ethenyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is QPNDDMQZOGALSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N6O2/c1-4-18-21(24)22(29-8-7-25-15(29)2)26-30(18)14-20(31)28-11-9-27(10-12-28)16-5-6-17(23)19(13-16)32-3/h4-8,13H,1,9-12,14H2,2-3H3.
What are the key properties of 2-[4-chloro-5-ethenyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone?
2-[4-chloro-5-ethenyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 475.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-ethenyl-3-(2-methylimidazol-1-yl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 149077735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).