1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]-4-methylpiperazine

C17H22Cl2N4O — CID 11646372

IUPAC1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]-4-methylpiperazine
SMILESCc1cc(OCCN2CCN(C)CC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H22Cl2N4O/c1-13-11-17(24-10-9-22-7-5-21(2)6-8-22)20-23(13)14-3-4-15(18)16(19)12-14/h3-4,11-12H,5-10H2,1-2H3
InChIKeyHZJLMGJUIYTSMU-UHFFFAOYSA-N
MW369.30 g/mol
LogP3.11
Rot. Bonds5

About 1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]-4-methylpiperazine

1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]-4-methylpiperazine (PubChem CID 11646372) has the molecular formula C17H22Cl2N4O and a molecular weight of 369.30 g/mol. Its IUPAC name is 1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]-4-methylpiperazine
PubChem CID11646372
Molecular FormulaC17H22Cl2N4O
Molecular Weight369.30 g/mol
Exact Mass368.12
IUPAC Name1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]-4-methylpiperazine
SMILESCc1cc(OCCN2CCN(C)CC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H22Cl2N4O/c1-13-11-17(24-10-9-22-7-5-21(2)6-8-22)20-23(13)14-3-4-15(18)16(19)12-14/h3-4,11-12H,5-10H2,1-2H3
InChIKeyHZJLMGJUIYTSMU-UHFFFAOYSA-N
XLogP3.11
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-N,N-diethylbutan-1-amine
CID 11494142
1-(3,4-Dichlorophenyl)-5-methyl-3-(4-pyrrolidin-1-ylbutoxy)pyrazole
CID 11494380
1-(3,4-Dichlorophenyl)-5-methyl-3-(3-pyrrolidin-1-ylpropoxy)pyrazole
CID 11501260
4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-N-(2-methoxyethyl)-N-methylbutan-1-amine
CID 11501613
1-[2-[1-(3,4-Dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]piperidine
CID 11508643
1-[4-[1-(3,4-Dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]-4-phenylpiperidine
CID 11518209
1-(3,4-Dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole
CID 11522946
4-[4-[1-(3,4-Dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]morpholine
CID 11552718
1-[4-[1-(3,4-Dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]-4-methylpiperazine
CID 11567446
4-{2-(1-(3,4-Dichlorophenyl)-5-methyl-1h pyrazol-3-yloxy)ethyl}morpholine
CID 11573971
2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxy-N,N-diethylethanamine
CID 11602582
4-[2-[1-(3,4-Dichlorophenyl)-5-phenylpyrazol-3-yl]oxyethyl]morpholine
CID 11604103

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]-4-methylpiperazine (CID 11646372) is 1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]-4-methylpiperazine is Cc1cc(OCCN2CCN(C)CC2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]-4-methylpiperazine?
The InChIKey is HZJLMGJUIYTSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N4O/c1-13-11-17(24-10-9-22-7-5-21(2)6-8-22)20-23(13)14-3-4-15(18)16(19)12-14/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of 1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]-4-methylpiperazine?
1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]-4-methylpiperazine has a molecular weight of 369.30 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]-4-methylpiperazine is sourced from PubChem (CID 11646372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).