1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine

C21H21Cl2N3 — CID 3746693

IUPAC1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESClc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1
InChIInChI=1S/C21H21Cl2N3/c22-18-5-1-15(2-6-18)14-26-11-9-17(10-12-26)21-13-20(24-25-21)16-3-7-19(23)8-4-16/h1-8,13,17H,9-12,14H2,(H,24,25)
InChIKeyYATPAHDOUJPRNV-UHFFFAOYSA-N
MW386.33 g/mol
LogP5.76
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine

1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 3746693) has the molecular formula C21H21Cl2N3 and a molecular weight of 386.33 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID3746693
Molecular FormulaC21H21Cl2N3
Molecular Weight386.33 g/mol
Exact Mass385.11
IUPAC Name1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESClc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1
InChIInChI=1S/C21H21Cl2N3/c22-18-5-1-15(2-6-18)14-26-11-9-17(10-12-26)21-13-20(24-25-21)16-3-7-19(23)8-4-16/h1-8,13,17H,9-12,14H2,(H,24,25)
InChIKeyYATPAHDOUJPRNV-UHFFFAOYSA-N
XLogP5.76
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.33
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-1H-indazole
CID 9996081
4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine
CID 449126
Zinc00434359
CID 869251
3,5-bis(4-chlorophenyl)-1H-pyrazole
CID 12436641
3-(4-Chlorophenyl)-5-methyl-1H-pyrazole
CID 606094
3-(1-Benzyl-pyrrolidin-3-yl)-5-(4-chloro-phenyl)-1H-pyrazole
CID 10497193
1-Benzyl-4-[5-(4-chloro-phenyl)-1H-pyrazol-3-yl]-4-methyl-piperidine
CID 10546828
1-Benzyl-4-[5-(4-chloro-phenyl)-1H-pyrazol-3-yl]-piperidine
CID 10594113
1-benzyl-4-[5-(4-chlorophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine
CID 10595908
1-Benzyl-4-(5-phenyl-1H-pyrazol-3-yl)-piperidine
CID 10615437
1-Benzyl-3-[5-(4-chloro-phenyl)-1H-pyrazol-3-yl]-piperidine
CID 10617946
4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-phenethyl-piperidine
CID 10618874

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine (CID 3746693) is 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine is Clc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is YATPAHDOUJPRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3/c22-18-5-1-15(2-6-18)14-26-11-9-17(10-12-26)21-13-20(24-25-21)16-3-7-19(23)8-4-16/h1-8,13,17H,9-12,14H2,(H,24,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine?
1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 386.33 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 3746693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).