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

C13H14BrN3 — CID 82586524

IUPAC1-(4-bromophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCc1nn(-c2ccc(Br)cc2)c2c1CNCC2
InChIInChI=1S/C13H14BrN3/c1-9-12-8-15-7-6-13(12)17(16-9)11-4-2-10(14)3-5-11/h2-5,15H,6-8H2,1H3
InChIKeyXLOIFENJHBBDAJ-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.59
Rot. Bonds1

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

1-(4-bromophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 82586524) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID82586524
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name1-(4-bromophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCc1nn(-c2ccc(Br)cc2)c2c1CNCC2
InChIInChI=1S/C13H14BrN3/c1-9-12-8-15-7-6-13(12)17(16-9)11-4-2-10(14)3-5-11/h2-5,15H,6-8H2,1H3
InChIKeyXLOIFENJHBBDAJ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 84647418
1-(2,6-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586494
3-methyl-1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586522
3-tert-butyl-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587007
1-(2,4-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586496
3-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82586985
1-(3-bromophenyl)-3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110458962
1-(4-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 83904563
ethyl 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 82587186
4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
CID 82588594
3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline
CID 105485912
3-(3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)benzonitrile
CID 105481976

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 1-(4-bromophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 82586524) is 1-(4-bromophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-(4-bromophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-(4-bromophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is Cc1nn(-c2ccc(Br)cc2)c2c1CNCC2.
What is the InChIKey of 1-(4-bromophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is XLOIFENJHBBDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-9-12-8-15-7-6-13(12)17(16-9)11-4-2-10(14)3-5-11/h2-5,15H,6-8H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
1-(4-bromophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 292.18 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 82586524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).