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

C21H22ClN3O — CID 44633107

IUPAC5-benzyl-1-(4-chlorophenyl)-3-ethoxy-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCOc1nn(-c2ccc(Cl)cc2)c2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C21H22ClN3O/c1-2-26-21-19-15-24(14-16-6-4-3-5-7-16)13-12-20(19)25(23-21)18-10-8-17(22)9-11-18/h3-11H,2,12-15H2,1H3
InChIKeyPOBHPDKMDIEOFB-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.48
Rot. Bonds5

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

5-benzyl-1-(4-chlorophenyl)-3-ethoxy-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 44633107) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 5-benzyl-1-(4-chlorophenyl)-3-ethoxy-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-benzyl-1-(4-chlorophenyl)-3-ethoxy-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID44633107
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name5-benzyl-1-(4-chlorophenyl)-3-ethoxy-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCOc1nn(-c2ccc(Cl)cc2)c2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C21H22ClN3O/c1-2-26-21-19-15-24(14-16-6-4-3-5-7-16)13-12-20(19)25(23-21)18-10-8-17(22)9-11-18/h3-11H,2,12-15H2,1H3
InChIKeyPOBHPDKMDIEOFB-UHFFFAOYSA-N
XLogP4.48
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-(4-chlorophenyl)-3-ethoxy-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-benzyl-1-(4-chlorophenyl)-3-ethoxy-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 44633107) is 5-benzyl-1-(4-chlorophenyl)-3-ethoxy-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-benzyl-1-(4-chlorophenyl)-3-ethoxy-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-benzyl-1-(4-chlorophenyl)-3-ethoxy-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCOc1nn(-c2ccc(Cl)cc2)c2c1CN(Cc1ccccc1)CC2.
What is the InChIKey of 5-benzyl-1-(4-chlorophenyl)-3-ethoxy-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is POBHPDKMDIEOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-2-26-21-19-15-24(14-16-6-4-3-5-7-16)13-12-20(19)25(23-21)18-10-8-17(22)9-11-18/h3-11H,2,12-15H2,1H3.
What are the key properties of 5-benzyl-1-(4-chlorophenyl)-3-ethoxy-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-benzyl-1-(4-chlorophenyl)-3-ethoxy-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 367.88 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-(4-chlorophenyl)-3-ethoxy-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 44633107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).