1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole

C16H19Cl2N3O — CID 11522946

IUPAC1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole
SMILESCc1cc(OCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2N3O/c1-12-10-16(22-9-8-20-6-2-3-7-20)19-21(12)13-4-5-14(17)15(18)11-13/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeySVRATFOTJLMBDJ-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.96
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole

1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole (PubChem CID 11522946) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole
PubChem CID11522946
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC Name1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole
SMILESCc1cc(OCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2N3O/c1-12-10-16(22-9-8-20-6-2-3-7-20)19-21(12)13-4-5-14(17)15(18)11-13/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeySVRATFOTJLMBDJ-UHFFFAOYSA-N
XLogP3.96
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
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
4-[4-[1-(3,4-Dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine
CID 11617627

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole?
The IUPAC name of 1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole (CID 11522946) is 1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole is Cc1cc(OCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole?
The InChIKey is SVRATFOTJLMBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c1-12-10-16(22-9-8-20-6-2-3-7-20)19-21(12)13-4-5-14(17)15(18)11-13/h4-5,10-11H,2-3,6-9H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole?
1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole has a molecular weight of 340.25 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole is sourced from PubChem (CID 11522946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).