2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

C18H23ClN4O2 — CID 35334938

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cn2nc(C)c(Cl)c2C)CC1
InChIInChI=1S/C18H23ClN4O2/c1-13-18(19)14(2)23(20-13)12-17(24)22-10-8-21(9-11-22)15-6-4-5-7-16(15)25-3/h4-7H,8-12H2,1-3H3
InChIKeyXIMBYFKGOPKSHG-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.51
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 35334938) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID35334938
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cn2nc(C)c(Cl)c2C)CC1
InChIInChI=1S/C18H23ClN4O2/c1-13-18(19)14(2)23(20-13)12-17(24)22-10-8-21(9-11-22)15-6-4-5-7-16(15)25-3/h4-7H,8-12H2,1-3H3
InChIKeyXIMBYFKGOPKSHG-UHFFFAOYSA-N
XLogP2.51
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 35334938) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1N1CCN(C(=O)Cn2nc(C)c(Cl)c2C)CC1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is XIMBYFKGOPKSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-13-18(19)14(2)23(20-13)12-17(24)22-10-8-21(9-11-22)15-6-4-5-7-16(15)25-3/h4-7H,8-12H2,1-3H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 362.86 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 35334938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).