1-benzyl-3-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C19H18ClN3 — CID 53324535

IUPAC1-benzyl-3-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESClc1ccc(-c2nn(Cc3ccccc3)c3c2CNCC3)cc1
InChIInChI=1S/C19H18ClN3/c20-16-8-6-15(7-9-16)19-17-12-21-11-10-18(17)23(22-19)13-14-4-2-1-3-5-14/h1-9,21H,10-13H2
InChIKeyMYDFLCNRMGZPDI-UHFFFAOYSA-N
MW323.83 g/mol
LogP3.90
Rot. Bonds3

About 1-benzyl-3-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

1-benzyl-3-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 53324535) has the molecular formula C19H18ClN3 and a molecular weight of 323.83 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID53324535
Molecular FormulaC19H18ClN3
Molecular Weight323.83 g/mol
Exact Mass323.12
IUPAC Name1-benzyl-3-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESClc1ccc(-c2nn(Cc3ccccc3)c3c2CNCC3)cc1
InChIInChI=1S/C19H18ClN3/c20-16-8-6-15(7-9-16)19-17-12-21-11-10-18(17)23(22-19)13-14-4-2-1-3-5-14/h1-9,21H,10-13H2
InChIKeyMYDFLCNRMGZPDI-UHFFFAOYSA-N
XLogP3.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 53324535) is 1-benzyl-3-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is Clc1ccc(-c2nn(Cc3ccccc3)c3c2CNCC3)cc1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is MYDFLCNRMGZPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3/c20-16-8-6-15(7-9-16)19-17-12-21-11-10-18(17)23(22-19)13-14-4-2-1-3-5-14/h1-9,21H,10-13H2.
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
1-benzyl-3-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 323.83 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 53324535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).