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

C19H18ClN3 — CID 82587639

IUPAC3-benzyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESClc1cccc(-n2nc(Cc3ccccc3)c3c2CCNC3)c1
InChIInChI=1S/C19H18ClN3/c20-15-7-4-8-16(12-15)23-19-9-10-21-13-17(19)18(22-23)11-14-5-2-1-3-6-14/h1-8,12,21H,9-11,13H2
InChIKeyIZRJONPUTXQLJP-UHFFFAOYSA-N
MW323.83 g/mol
LogP3.76
Rot. Bonds3

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

3-benzyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 82587639) has the molecular formula C19H18ClN3 and a molecular weight of 323.83 g/mol. Its IUPAC name is 3-benzyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-benzyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID82587639
Molecular FormulaC19H18ClN3
Molecular Weight323.83 g/mol
Exact Mass323.12
IUPAC Name3-benzyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESClc1cccc(-n2nc(Cc3ccccc3)c3c2CCNC3)c1
InChIInChI=1S/C19H18ClN3/c20-15-7-4-8-16(12-15)23-19-9-10-21-13-17(19)18(22-23)11-14-5-2-1-3-6-14/h1-8,12,21H,9-11,13H2
InChIKeyIZRJONPUTXQLJP-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82586595
2-[4-(3-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)phenyl]acetic acid
CID 110459050
3-ethyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82586621
1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
CID 83868837
3-benzyl-1-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587621
3-benzyl-1-(3-bromophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 5145052
3-(3-cyano-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
CID 82588694
1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 84647418
2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine
CID 83868844
3-methyl-1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586522
3-benzyl-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 4015983
3-(1-benzylpiperidin-3-yl)-1-(3-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 5163158

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-benzyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 82587639) is 3-benzyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-benzyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-benzyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is Clc1cccc(-n2nc(Cc3ccccc3)c3c2CCNC3)c1.
What is the InChIKey of 3-benzyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is IZRJONPUTXQLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3/c20-15-7-4-8-16(12-15)23-19-9-10-21-13-17(19)18(22-23)11-14-5-2-1-3-6-14/h1-8,12,21H,9-11,13H2.
What are the key properties of 3-benzyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-benzyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 323.83 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82587639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).