1-[(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperidine

C20H20Cl3N3 — CID 69111864

IUPAC1-[(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperidine
SMILESClc1ccc([C@H]2CC(N3CCCCC3)=NN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H20Cl3N3/c21-15-6-4-14(5-7-15)19-13-20(25-10-2-1-3-11-25)24-26(19)18-9-8-16(22)12-17(18)23/h4-9,12,19H,1-3,10-11,13H2/t19-/m1/s1
InChIKeyAFYSDJPIMGCIEI-LJQANCHMSA-N
MW408.76 g/mol
LogP6.40
Rot. Bonds2

About 1-[(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperidine

1-[(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperidine (PubChem CID 69111864) has the molecular formula C20H20Cl3N3 and a molecular weight of 408.76 g/mol. Its IUPAC name is 1-[(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-[(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperidine
PubChem CID69111864
Molecular FormulaC20H20Cl3N3
Molecular Weight408.76 g/mol
Exact Mass407.07
IUPAC Name1-[(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperidine
SMILESClc1ccc([C@H]2CC(N3CCCCC3)=NN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H20Cl3N3/c21-15-6-4-14(5-7-15)19-13-20(25-10-2-1-3-11-25)24-26(19)18-9-8-16(22)12-17(18)23/h4-9,12,19H,1-3,10-11,13H2/t19-/m1/s1
InChIKeyAFYSDJPIMGCIEI-LJQANCHMSA-N
XLogP6.40
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.76
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperidine?
The IUPAC name of 1-[(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperidine (CID 69111864) is 1-[(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperidine.
What is the SMILES notation for 1-[(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperidine?
The canonical SMILES for 1-[(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperidine is Clc1ccc([C@H]2CC(N3CCCCC3)=NN2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperidine?
The InChIKey is AFYSDJPIMGCIEI-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20Cl3N3/c21-15-6-4-14(5-7-15)19-13-20(25-10-2-1-3-11-25)24-26(19)18-9-8-16(22)12-17(18)23/h4-9,12,19H,1-3,10-11,13H2/t19-/m1/s1.
What are the key properties of 1-[(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperidine?
1-[(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperidine has a molecular weight of 408.76 g/mol, XLogP of 6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperidine is sourced from PubChem (CID 69111864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).