1,5-dibenzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C26H24ClN3 — CID 11742503

IUPAC1,5-dibenzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESClc1ccc(-c2nn(Cc3ccccc3)c3c2CN(Cc2ccccc2)CC3)cc1
InChIInChI=1S/C26H24ClN3/c27-23-13-11-22(12-14-23)26-24-19-29(17-20-7-3-1-4-8-20)16-15-25(24)30(28-26)18-21-9-5-2-6-10-21/h1-14H,15-19H2
InChIKeyJHYWBLQIYVTSMX-UHFFFAOYSA-N
MW413.95 g/mol
LogP5.81
Rot. Bonds5

About 1,5-dibenzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

1,5-dibenzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 11742503) has the molecular formula C26H24ClN3 and a molecular weight of 413.95 g/mol. Its IUPAC name is 1,5-dibenzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1,5-dibenzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID11742503
Molecular FormulaC26H24ClN3
Molecular Weight413.95 g/mol
Exact Mass413.17
IUPAC Name1,5-dibenzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESClc1ccc(-c2nn(Cc3ccccc3)c3c2CN(Cc2ccccc2)CC3)cc1
InChIInChI=1S/C26H24ClN3/c27-23-13-11-22(12-14-23)26-24-19-29(17-20-7-3-1-4-8-20)16-15-25(24)30(28-26)18-21-9-5-2-6-10-21/h1-14H,15-19H2
InChIKeyJHYWBLQIYVTSMX-UHFFFAOYSA-N
XLogP5.81
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.95
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 70447751
1-benzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-indazol-5-one
CID 67269636
4-[1-benzyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-fluorophenyl)butan-1-one;hydrochloride
CID 70449773
1-[1-benzyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 76850843
5-benzyl-1-[(2-bromophenyl)methyl]-3-chloro-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 113259576
3-(4-chlorophenyl)-1-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine
CID 59752588
3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 57221359
3-[[3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepin-1-yl]methyl]phenol
CID 59752536
3-(1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline
CID 82585997
5-benzyl-1-(4-chlorophenyl)-3-ethoxy-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 44633107
1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine
CID 141269608
6-benzyl-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137091053

Frequently Asked Questions

What is the IUPAC name of 1,5-dibenzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 1,5-dibenzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 11742503) is 1,5-dibenzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1,5-dibenzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 1,5-dibenzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Clc1ccc(-c2nn(Cc3ccccc3)c3c2CN(Cc2ccccc2)CC3)cc1.
What is the InChIKey of 1,5-dibenzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is JHYWBLQIYVTSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3/c27-23-13-11-22(12-14-23)26-24-19-29(17-20-7-3-1-4-8-20)16-15-25(24)30(28-26)18-21-9-5-2-6-10-21/h1-14H,15-19H2.
What are the key properties of 1,5-dibenzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
1,5-dibenzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 413.95 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibenzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 11742503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).