3-(2-bromophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C13H14BrN3 — CID 82588434

IUPAC3-(2-bromophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCn1nc(-c2ccccc2Br)c2c1CCNC2
InChIInChI=1S/C13H14BrN3/c1-17-12-6-7-15-8-10(12)13(16-17)9-4-2-3-5-11(9)14/h2-5,15H,6-8H2,1H3
InChIKeyPGFVJZYGKFVVTF-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.50
Rot. Bonds1

About 3-(2-bromophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(2-bromophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 82588434) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(2-bromophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID82588434
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name3-(2-bromophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCn1nc(-c2ccccc2Br)c2c1CCNC2
InChIInChI=1S/C13H14BrN3/c1-17-12-6-7-15-8-10(12)13(16-17)9-4-2-3-5-11(9)14/h2-5,15H,6-8H2,1H3
InChIKeyPGFVJZYGKFVVTF-UHFFFAOYSA-N
XLogP2.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(1-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 70967701
3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol
CID 84647281
1-methyl-3-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 162753819
(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanol;dihydrochloride
CID 50944322
3-(2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82289154
N-(8-bromoimidazo[1,2-a]pyridin-3-yl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 166276555
3-[3-(2-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanoic acid
CID 82588209
3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde
CID 43141306
1-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110459079
3-(2-bromophenyl)-1-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4666311
3-(2-bromophenyl)-1-(2,4-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4296912
3-[2-(4-methoxyphenyl)ethyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82588360

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(2-bromophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 82588434) is 3-(2-bromophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(2-bromophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(2-bromophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is Cn1nc(-c2ccccc2Br)c2c1CCNC2.
What is the InChIKey of 3-(2-bromophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is PGFVJZYGKFVVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-17-12-6-7-15-8-10(12)13(16-17)9-4-2-3-5-11(9)14/h2-5,15H,6-8H2,1H3.
What are the key properties of 3-(2-bromophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(2-bromophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 292.18 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82588434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).