1-[(2-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine

C21H21Cl2N3 — CID 10691523

IUPAC1-[(2-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESClc1ccc(-c2cc(C3CCN(Cc4ccccc4Cl)CC3)[nH]n2)cc1
InChIInChI=1S/C21H21Cl2N3/c22-18-7-5-15(6-8-18)20-13-21(25-24-20)16-9-11-26(12-10-16)14-17-3-1-2-4-19(17)23/h1-8,13,16H,9-12,14H2,(H,24,25)
InChIKeyLKPNIBAOVAQLNF-UHFFFAOYSA-N
MW386.33 g/mol
LogP5.76
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine

1-[(2-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 10691523) has the molecular formula C21H21Cl2N3 and a molecular weight of 386.33 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID10691523
Molecular FormulaC21H21Cl2N3
Molecular Weight386.33 g/mol
Exact Mass385.11
IUPAC Name1-[(2-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESClc1ccc(-c2cc(C3CCN(Cc4ccccc4Cl)CC3)[nH]n2)cc1
InChIInChI=1S/C21H21Cl2N3/c22-18-7-5-15(6-8-18)20-13-21(25-24-20)16-9-11-26(12-10-16)14-17-3-1-2-4-19(17)23/h1-8,13,16H,9-12,14H2,(H,24,25)
InChIKeyLKPNIBAOVAQLNF-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

4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine
CID 449126
Zinc00434359
CID 869251
3,5-bis(4-chlorophenyl)-1H-pyrazole
CID 12436641
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-[(4-chlorophenyl)methyl]piperidine
CID 3746693
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
1-Benzyl-4-[5-(4-chloro-phenyl)-4-methyl-1H-pyrazol-3-yl]-piperidine
CID 10618875

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine (CID 10691523) is 1-[(2-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine is Clc1ccc(-c2cc(C3CCN(Cc4ccccc4Cl)CC3)[nH]n2)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is LKPNIBAOVAQLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3/c22-18-7-5-15(6-8-18)20-13-21(25-24-20)16-9-11-26(12-10-16)14-17-3-1-2-4-19(17)23/h1-8,13,16H,9-12,14H2,(H,24,25).
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine?
1-[(2-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-[(2-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 10691523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).