1-[3-[1-(3,4-dichlorophenyl)pyrazol-3-yl]propyl]piperidine

C17H21Cl2N3 — CID 162119357

IUPAC1-[3-[1-(3,4-dichlorophenyl)pyrazol-3-yl]propyl]piperidine
SMILESClc1ccc(-n2ccc(CCCN3CCCCC3)n2)cc1Cl
InChIInChI=1S/C17H21Cl2N3/c18-16-7-6-15(13-17(16)19)22-12-8-14(20-22)5-4-11-21-9-2-1-3-10-21/h6-8,12-13H,1-5,9-11H2
InChIKeyZHEWLZPYKIBPDP-UHFFFAOYSA-N
MW338.28 g/mol
LogP4.60
Rot. Bonds5

About 1-[3-[1-(3,4-dichlorophenyl)pyrazol-3-yl]propyl]piperidine

1-[3-[1-(3,4-dichlorophenyl)pyrazol-3-yl]propyl]piperidine (PubChem CID 162119357) has the molecular formula C17H21Cl2N3 and a molecular weight of 338.28 g/mol. Its IUPAC name is 1-[3-[1-(3,4-dichlorophenyl)pyrazol-3-yl]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[1-(3,4-dichlorophenyl)pyrazol-3-yl]propyl]piperidine
PubChem CID162119357
Molecular FormulaC17H21Cl2N3
Molecular Weight338.28 g/mol
Exact Mass337.11
IUPAC Name1-[3-[1-(3,4-dichlorophenyl)pyrazol-3-yl]propyl]piperidine
SMILESClc1ccc(-n2ccc(CCCN3CCCCC3)n2)cc1Cl
InChIInChI=1S/C17H21Cl2N3/c18-16-7-6-15(13-17(16)19)22-12-8-14(20-22)5-4-11-21-9-2-1-3-10-21/h6-8,12-13H,1-5,9-11H2
InChIKeyZHEWLZPYKIBPDP-UHFFFAOYSA-N
XLogP4.60
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-1-ylbutoxy)pyrazole
CID 11674772
1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine
CID 11667265
4-[3-[1-(2,4-dichlorophenyl)pyrazol-3-yl]propyl]morpholine
CID 58514055
4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride
CID 67204666
2-[1-(3-chloro-4-methylphenyl)pyrazol-3-yl]-N-methylethanamine
CID 116818139
4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine
CID 24739749
1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 558444
1-[3-[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]propyl]-4-(3,4-dichlorophenyl)piperazine
CID 25065459
2-[1-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-3-piperidin-1-ylpropan-2-yl]oxy-2-oxoacetic acid
CID 91196794
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine
CID 54462268
1-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]piperidine
CID 24957018
1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine
CID 2581947

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(3,4-dichlorophenyl)pyrazol-3-yl]propyl]piperidine?
The IUPAC name of 1-[3-[1-(3,4-dichlorophenyl)pyrazol-3-yl]propyl]piperidine (CID 162119357) is 1-[3-[1-(3,4-dichlorophenyl)pyrazol-3-yl]propyl]piperidine.
What is the SMILES notation for 1-[3-[1-(3,4-dichlorophenyl)pyrazol-3-yl]propyl]piperidine?
The canonical SMILES for 1-[3-[1-(3,4-dichlorophenyl)pyrazol-3-yl]propyl]piperidine is Clc1ccc(-n2ccc(CCCN3CCCCC3)n2)cc1Cl.
What is the InChIKey of 1-[3-[1-(3,4-dichlorophenyl)pyrazol-3-yl]propyl]piperidine?
The InChIKey is ZHEWLZPYKIBPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3/c18-16-7-6-15(13-17(16)19)22-12-8-14(20-22)5-4-11-21-9-2-1-3-10-21/h6-8,12-13H,1-5,9-11H2.
What are the key properties of 1-[3-[1-(3,4-dichlorophenyl)pyrazol-3-yl]propyl]piperidine?
1-[3-[1-(3,4-dichlorophenyl)pyrazol-3-yl]propyl]piperidine has a molecular weight of 338.28 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(3,4-dichlorophenyl)pyrazol-3-yl]propyl]piperidine is sourced from PubChem (CID 162119357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).