4-bromo-1-(2-phenylmethoxyethyl)pyrazolo[3,4-c]pyridine

C15H14BrN3O — CID 171334734

IUPAC4-bromo-1-(2-phenylmethoxyethyl)pyrazolo[3,4-c]pyridine
SMILESBrc1cncc2c1cnn2CCOCc1ccccc1
InChIInChI=1S/C15H14BrN3O/c16-14-9-17-10-15-13(14)8-18-19(15)6-7-20-11-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2
InChIKeyPQIMTUNIVZZEFV-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.41
Rot. Bonds5

About 4-bromo-1-(2-phenylmethoxyethyl)pyrazolo[3,4-c]pyridine

4-bromo-1-(2-phenylmethoxyethyl)pyrazolo[3,4-c]pyridine (PubChem CID 171334734) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 4-bromo-1-(2-phenylmethoxyethyl)pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-bromo-1-(2-phenylmethoxyethyl)pyrazolo[3,4-c]pyridine
PubChem CID171334734
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name4-bromo-1-(2-phenylmethoxyethyl)pyrazolo[3,4-c]pyridine
SMILESBrc1cncc2c1cnn2CCOCc1ccccc1
InChIInChI=1S/C15H14BrN3O/c16-14-9-17-10-15-13(14)8-18-19(15)6-7-20-11-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2
InChIKeyPQIMTUNIVZZEFV-UHFFFAOYSA-N
XLogP3.41
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-(2-phenylmethoxyethyl)pyrazole-5-carbonyl chloride
CID 139407916
4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazole
CID 174971763
2-(2-phenylmethoxyethyl)pyrazole-3-carboxylic acid
CID 137425411
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
5-(1-bromo-2-methoxyethyl)-1-(2-phenylmethoxyethyl)triazole
CID 165452482
4,5-dibromo-1-phenylmethoxypyrazole
CID 10314667
2-(4-bromoindazol-1-yl)ethoxy-tert-butyl-dimethylsilane
CID 169069472
1-(2-phenylmethoxyethyl)-6-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyridazine-2,5-dione
CID 167442811
N-[3-(6-chloroindazol-1-yl)propyl]-2-phenylmethoxyethanesulfonamide
CID 91956336
1-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]ethanone
CID 122240899
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
tribromo(3-phenylmethoxypropyl)silane
CID 66954985

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-phenylmethoxyethyl)pyrazolo[3,4-c]pyridine?
The IUPAC name of 4-bromo-1-(2-phenylmethoxyethyl)pyrazolo[3,4-c]pyridine (CID 171334734) is 4-bromo-1-(2-phenylmethoxyethyl)pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-bromo-1-(2-phenylmethoxyethyl)pyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-bromo-1-(2-phenylmethoxyethyl)pyrazolo[3,4-c]pyridine is Brc1cncc2c1cnn2CCOCc1ccccc1.
What is the InChIKey of 4-bromo-1-(2-phenylmethoxyethyl)pyrazolo[3,4-c]pyridine?
The InChIKey is PQIMTUNIVZZEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c16-14-9-17-10-15-13(14)8-18-19(15)6-7-20-11-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2.
What are the key properties of 4-bromo-1-(2-phenylmethoxyethyl)pyrazolo[3,4-c]pyridine?
4-bromo-1-(2-phenylmethoxyethyl)pyrazolo[3,4-c]pyridine has a molecular weight of 332.20 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-phenylmethoxyethyl)pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 171334734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).