5-benzyl-1-[(2-bromophenyl)methyl]-3-chloro-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C20H19BrClN3 — CID 113259576

IUPAC5-benzyl-1-[(2-bromophenyl)methyl]-3-chloro-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESClc1nn(Cc2ccccc2Br)c2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C20H19BrClN3/c21-18-9-5-4-8-16(18)13-25-19-10-11-24(14-17(19)20(22)23-25)12-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyLDDZJGNNFCLVBM-UHFFFAOYSA-N
MW416.75 g/mol
LogP4.91
Rot. Bonds4

About 5-benzyl-1-[(2-bromophenyl)methyl]-3-chloro-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-benzyl-1-[(2-bromophenyl)methyl]-3-chloro-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 113259576) has the molecular formula C20H19BrClN3 and a molecular weight of 416.75 g/mol. Its IUPAC name is 5-benzyl-1-[(2-bromophenyl)methyl]-3-chloro-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-benzyl-1-[(2-bromophenyl)methyl]-3-chloro-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID113259576
Molecular FormulaC20H19BrClN3
Molecular Weight416.75 g/mol
Exact Mass415.05
IUPAC Name5-benzyl-1-[(2-bromophenyl)methyl]-3-chloro-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESClc1nn(Cc2ccccc2Br)c2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C20H19BrClN3/c21-18-9-5-4-8-16(18)13-25-19-10-11-24(14-17(19)20(22)23-25)12-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyLDDZJGNNFCLVBM-UHFFFAOYSA-N
XLogP4.91
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.75
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dibenzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 11742503
1-[(2-bromophenyl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxylic acid
CID 138472077
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 81217160
[1-benzyl-5-[(4-hydroxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 26234223
2-benzyl-4-bromo-1,3-dihydroisoindole;hydrochloride
CID 57431190
3,5-dibromo-1-[(2-bromophenyl)methyl]pyrazole
CID 114692670
1-benzyl-5-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26137557
5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 137452745
5-benzyl-1-(4-chlorophenyl)-3-ethoxy-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 44633107
6-benzyl-4-N,4-N-diethyl-2-N,2-N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 91800555
ethyl 5-[(4-acetamidophenyl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26143774

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-[(2-bromophenyl)methyl]-3-chloro-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-benzyl-1-[(2-bromophenyl)methyl]-3-chloro-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 113259576) is 5-benzyl-1-[(2-bromophenyl)methyl]-3-chloro-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-benzyl-1-[(2-bromophenyl)methyl]-3-chloro-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-benzyl-1-[(2-bromophenyl)methyl]-3-chloro-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Clc1nn(Cc2ccccc2Br)c2c1CN(Cc1ccccc1)CC2.
What is the InChIKey of 5-benzyl-1-[(2-bromophenyl)methyl]-3-chloro-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is LDDZJGNNFCLVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrClN3/c21-18-9-5-4-8-16(18)13-25-19-10-11-24(14-17(19)20(22)23-25)12-15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 5-benzyl-1-[(2-bromophenyl)methyl]-3-chloro-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-benzyl-1-[(2-bromophenyl)methyl]-3-chloro-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 416.75 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-[(2-bromophenyl)methyl]-3-chloro-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 113259576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).