3-bromo-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid

C7H8BrN3O2 — CID 175172820

IUPAC3-bromo-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
SMILESO=C(O)N1CCc2c(Br)n[nH]c2C1
InChIInChI=1S/C7H8BrN3O2/c8-6-4-1-2-11(7(12)13)3-5(4)9-10-6/h1-3H2,(H,9,10)(H,12,13)
InChIKeyVORSZXHPYLQDMH-UHFFFAOYSA-N
MW246.06 g/mol
LogP1.21
Rot. Bonds

About 3-bromo-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid

3-bromo-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid (PubChem CID 175172820) has the molecular formula C7H8BrN3O2 and a molecular weight of 246.06 g/mol. Its IUPAC name is 3-bromo-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-bromo-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
PubChem CID175172820
Molecular FormulaC7H8BrN3O2
Molecular Weight246.06 g/mol
Exact Mass244.98
IUPAC Name3-bromo-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
SMILESO=C(O)N1CCc2c(Br)n[nH]c2C1
InChIInChI=1S/C7H8BrN3O2/c8-6-4-1-2-11(7(12)13)3-5(4)9-10-6/h1-3H2,(H,9,10)(H,12,13)
InChIKeyVORSZXHPYLQDMH-UHFFFAOYSA-N
XLogP1.21
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 175056798
3-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 71773207
6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 110447010
3-bromo-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 121365445
3-ethylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 138471672
3-[(2-amino-4,5-dimethylphenyl)carbamoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 68649521
1-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone
CID 118489164
3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
CID 84670415
6-bromo-8-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 175442568
1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2-dimethylpropan-1-one
CID 118493473
3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid
CID 175025961
3-bromo-4,6-dihydro-1H-thieno[3,4-d]pyrazole 5,5-dioxide
CID 105498718

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid?
The IUPAC name of 3-bromo-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid (CID 175172820) is 3-bromo-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-bromo-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid?
The canonical SMILES for 3-bromo-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid is O=C(O)N1CCc2c(Br)n[nH]c2C1.
What is the InChIKey of 3-bromo-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid?
The InChIKey is VORSZXHPYLQDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O2/c8-6-4-1-2-11(7(12)13)3-5(4)9-10-6/h1-3H2,(H,9,10)(H,12,13).
What are the key properties of 3-bromo-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid?
3-bromo-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid has a molecular weight of 246.06 g/mol, XLogP of 1.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 175172820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).