3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydroindeno[1,2-c]pyrazole

C22H22ClN3 — CID 102339939

IUPAC3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydroindeno[1,2-c]pyrazole
SMILESClc1ccc2c(c1)Cc1c-2n[nH]c1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H22ClN3/c23-18-6-7-19-17(12-18)13-20-21(24-25-22(19)20)16-8-10-26(11-9-16)14-15-4-2-1-3-5-15/h1-7,12,16H,8-11,13-14H2,(H,24,25)
InChIKeyGQWYPYZNZISROY-UHFFFAOYSA-N
MW363.89 g/mol
LogP5.01
Rot. Bonds3

About 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydroindeno[1,2-c]pyrazole

3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydroindeno[1,2-c]pyrazole (PubChem CID 102339939) has the molecular formula C22H22ClN3 and a molecular weight of 363.89 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydroindeno[1,2-c]pyrazole.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydroindeno[1,2-c]pyrazole
PubChem CID102339939
Molecular FormulaC22H22ClN3
Molecular Weight363.89 g/mol
Exact Mass363.15
IUPAC Name3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydroindeno[1,2-c]pyrazole
SMILESClc1ccc2c(c1)Cc1c-2n[nH]c1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H22ClN3/c23-18-6-7-19-17(12-18)13-20-21(24-25-22(19)20)16-8-10-26(11-9-16)14-15-4-2-1-3-5-15/h1-7,12,16H,8-11,13-14H2,(H,24,25)
InChIKeyGQWYPYZNZISROY-UHFFFAOYSA-N
XLogP5.01
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.89
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydroindeno[1,2-c]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-3-[1-(2-phenylethyl)piperidin-4-yl]-4H-indeno[1,2-c][1,2]oxazole
CID 102339944
1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
CID 141321764
1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42479344
1-benzyl-3-(2,4-dichlorophenyl)pyrrolidine
CID 173052074
3-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole
CID 21476930
1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 42165171
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole
CID 134084457
2-(1-benzylpiperidin-4-yl)-6-chloro-1,2-benzoselenazol-3-one
CID 72736553
4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 56741084
2-benzyl-9-chloro-4,4a,5,6-tetrahydro-3H-benzo[c][2,6]naphthyridine
CID 10543026
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydroindeno[1,2-c]pyrazole?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydroindeno[1,2-c]pyrazole (CID 102339939) is 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydroindeno[1,2-c]pyrazole.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydroindeno[1,2-c]pyrazole?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydroindeno[1,2-c]pyrazole is Clc1ccc2c(c1)Cc1c-2n[nH]c1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydroindeno[1,2-c]pyrazole?
The InChIKey is GQWYPYZNZISROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3/c23-18-6-7-19-17(12-18)13-20-21(24-25-22(19)20)16-8-10-26(11-9-16)14-15-4-2-1-3-5-15/h1-7,12,16H,8-11,13-14H2,(H,24,25).
What are the key properties of 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydroindeno[1,2-c]pyrazole?
3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydroindeno[1,2-c]pyrazole has a molecular weight of 363.89 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydroindeno[1,2-c]pyrazole is sourced from PubChem (CID 102339939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).