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

C18H24Cl2N4O — CID 71451629

IUPAC1-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]-4-methylpiperazine
SMILESCc1cc(OCCCN2CCN(C)CC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H24Cl2N4O/c1-14-12-18(21-24(14)15-4-5-16(19)17(20)13-15)25-11-3-6-23-9-7-22(2)8-10-23/h4-5,12-13H,3,6-11H2,1-2H3
InChIKeyWZRGRJFCSUGMBM-UHFFFAOYSA-N
MW383.32 g/mol
LogP3.50
Rot. Bonds6

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

1-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]-4-methylpiperazine (PubChem CID 71451629) has the molecular formula C18H24Cl2N4O and a molecular weight of 383.32 g/mol. Its IUPAC name is 1-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]-4-methylpiperazine
PubChem CID71451629
Molecular FormulaC18H24Cl2N4O
Molecular Weight383.32 g/mol
Exact Mass382.13
IUPAC Name1-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]-4-methylpiperazine
SMILESCc1cc(OCCCN2CCN(C)CC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H24Cl2N4O/c1-14-12-18(21-24(14)15-4-5-16(19)17(20)13-15)25-11-3-6-23-9-7-22(2)8-10-23/h4-5,12-13H,3,6-11H2,1-2H3
InChIKeyWZRGRJFCSUGMBM-UHFFFAOYSA-N
XLogP3.50
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]-4-methylpiperazine (CID 71451629) is 1-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]-4-methylpiperazine is Cc1cc(OCCCN2CCN(C)CC2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]-4-methylpiperazine?
The InChIKey is WZRGRJFCSUGMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N4O/c1-14-12-18(21-24(14)15-4-5-16(19)17(20)13-15)25-11-3-6-23-9-7-22(2)8-10-23/h4-5,12-13H,3,6-11H2,1-2H3.
What are the key properties of 1-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]-4-methylpiperazine?
1-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]-4-methylpiperazine has a molecular weight of 383.32 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxypropyl]-4-methylpiperazine is sourced from PubChem (CID 71451629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).