1-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]piperidine

C19H25Cl2N3O — CID 11689464

IUPAC1-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]piperidine
SMILESCC(C)c1cc(OCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H25Cl2N3O/c1-14(2)18-13-19(25-11-10-23-8-4-3-5-9-23)22-24(18)15-6-7-16(20)17(21)12-15/h6-7,12-14H,3-5,8-11H2,1-2H3
InChIKeyZRKJSQZRBMJLSH-UHFFFAOYSA-N
MW382.34 g/mol
LogP5.17
Rot. Bonds6

About 1-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]piperidine

1-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]piperidine (PubChem CID 11689464) has the molecular formula C19H25Cl2N3O and a molecular weight of 382.34 g/mol. Its IUPAC name is 1-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]piperidine
PubChem CID11689464
Molecular FormulaC19H25Cl2N3O
Molecular Weight382.34 g/mol
Exact Mass381.14
IUPAC Name1-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]piperidine
SMILESCC(C)c1cc(OCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H25Cl2N3O/c1-14(2)18-13-19(25-11-10-23-8-4-3-5-9-23)22-24(18)15-6-7-16(20)17(21)12-15/h6-7,12-14H,3-5,8-11H2,1-2H3
InChIKeyZRKJSQZRBMJLSH-UHFFFAOYSA-N
XLogP5.17
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.34
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]piperidine?
The IUPAC name of 1-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]piperidine (CID 11689464) is 1-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]piperidine.
What is the SMILES notation for 1-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]piperidine?
The canonical SMILES for 1-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]piperidine is CC(C)c1cc(OCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]piperidine?
The InChIKey is ZRKJSQZRBMJLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3O/c1-14(2)18-13-19(25-11-10-23-8-4-3-5-9-23)22-24(18)15-6-7-16(20)17(21)12-15/h6-7,12-14H,3-5,8-11H2,1-2H3.
What are the key properties of 1-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]piperidine?
1-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]piperidine has a molecular weight of 382.34 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]piperidine is sourced from PubChem (CID 11689464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).