2-(4-chloro-5-ethyl-3-pyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone

C23H24Cl2FN5O2 — CID 69048233

IUPAC2-(4-chloro-5-ethyl-3-pyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCCc1c(Cl)c(-c2ccccn2)nn1CC(=O)N1CCN(c2cc(OC)c(Cl)cc2F)CC1
InChIInChI=1S/C23H24Cl2FN5O2/c1-3-18-22(25)23(17-6-4-5-7-27-17)28-31(18)14-21(32)30-10-8-29(9-11-30)19-13-20(33-2)15(24)12-16(19)26/h4-7,12-13H,3,8-11,14H2,1-2H3
InChIKeyQJWRXSHSBPUQIY-UHFFFAOYSA-N
MW492.38 g/mol
LogP4.31
Rot. Bonds6

About 2-(4-chloro-5-ethyl-3-pyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone

2-(4-chloro-5-ethyl-3-pyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 69048233) has the molecular formula C23H24Cl2FN5O2 and a molecular weight of 492.38 g/mol. Its IUPAC name is 2-(4-chloro-5-ethyl-3-pyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-5-ethyl-3-pyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID69048233
Molecular FormulaC23H24Cl2FN5O2
Molecular Weight492.38 g/mol
Exact Mass491.13
IUPAC Name2-(4-chloro-5-ethyl-3-pyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCCc1c(Cl)c(-c2ccccn2)nn1CC(=O)N1CCN(c2cc(OC)c(Cl)cc2F)CC1
InChIInChI=1S/C23H24Cl2FN5O2/c1-3-18-22(25)23(17-6-4-5-7-27-17)28-31(18)14-21(32)30-10-8-29(9-11-30)19-13-20(33-2)15(24)12-16(19)26/h4-7,12-13H,3,8-11,14H2,1-2H3
InChIKeyQJWRXSHSBPUQIY-UHFFFAOYSA-N
XLogP4.31
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-ethyl-3-pyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-5-ethyl-3-pyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone (CID 69048233) is 2-(4-chloro-5-ethyl-3-pyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-5-ethyl-3-pyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-5-ethyl-3-pyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone is CCc1c(Cl)c(-c2ccccn2)nn1CC(=O)N1CCN(c2cc(OC)c(Cl)cc2F)CC1.
What is the InChIKey of 2-(4-chloro-5-ethyl-3-pyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is QJWRXSHSBPUQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2FN5O2/c1-3-18-22(25)23(17-6-4-5-7-27-17)28-31(18)14-21(32)30-10-8-29(9-11-30)19-13-20(33-2)15(24)12-16(19)26/h4-7,12-13H,3,8-11,14H2,1-2H3.
What are the key properties of 2-(4-chloro-5-ethyl-3-pyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone?
2-(4-chloro-5-ethyl-3-pyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 492.38 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-ethyl-3-pyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 69048233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).