4-bromo-1-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridine-3-carboxylic acid

C10H10BrN3O2 — CID 121416972

IUPAC4-bromo-1-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1nn(C2CC2)c2c1C(Br)=NCC2
InChIInChI=1S/C10H10BrN3O2/c11-9-7-6(3-4-12-9)14(5-1-2-5)13-8(7)10(15)16/h5H,1-4H2,(H,15,16)
InChIKeyOSRWDLKBUUZUGN-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.61
Rot. Bonds2

About 4-bromo-1-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridine-3-carboxylic acid

4-bromo-1-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 121416972) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID121416972
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name4-bromo-1-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1nn(C2CC2)c2c1C(Br)=NCC2
InChIInChI=1S/C10H10BrN3O2/c11-9-7-6(3-4-12-9)14(5-1-2-5)13-8(7)10(15)16/h5H,1-4H2,(H,15,16)
InChIKeyOSRWDLKBUUZUGN-UHFFFAOYSA-N
XLogP1.61
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 69193043
4-[4-amino-3-(4-bromophenyl)-6,7-dihydropyrazolo[4,3-c]pyridin-1-yl]cyclohexan-1-ol
CID 175935281
5-amino-1-cyclobutyl-4-methylpyrazole-3-carboxylic acid
CID 105448864
ethyl 6-(1-methylpiperidin-4-yl)-3-oxo-1,2,4,5-tetrahydropyrazolo[3,4-e]indazole-8-carboxylate
CID 110458476
5-bromo-2-cyclopentyltriazole-4-carboxylic acid
CID 141279462
1,5-dicyclopropyltriazole-4-carboxylic acid
CID 105446875
1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 141172641
(1-cyclopropyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl) hydrogen carbonate
CID 175009820
1-(1-acetylpiperidin-4-yl)-7-oxo-5,6-dihydro-4H-indazole-3-carboxylic acid
CID 141106341
7-methyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxylic acid
CID 83816985
5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxylic acid
CID 175750682
1-(cyclopropylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 176515483

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 4-bromo-1-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 121416972) is 4-bromo-1-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-bromo-1-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 4-bromo-1-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridine-3-carboxylic acid is O=C(O)c1nn(C2CC2)c2c1C(Br)=NCC2.
What is the InChIKey of 4-bromo-1-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is OSRWDLKBUUZUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c11-9-7-6(3-4-12-9)14(5-1-2-5)13-8(7)10(15)16/h5H,1-4H2,(H,15,16).
What are the key properties of 4-bromo-1-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
4-bromo-1-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 284.11 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-6,7-dihydropyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 121416972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).