4-amino-3-bromo-1,5,6,7-tetrahydroindazole-4-carboxylic acid

C8H10BrN3O2 — CID 83913319

IUPAC4-amino-3-bromo-1,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESNC1(C(=O)O)CCCc2[nH]nc(Br)c21
InChIInChI=1S/C8H10BrN3O2/c9-6-5-4(11-12-6)2-1-3-8(5,10)7(13)14/h1-3,10H2,(H,11,12)(H,13,14)
InChIKeyJNWTVZYEPCQGBV-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.75
Rot. Bonds1

About 4-amino-3-bromo-1,5,6,7-tetrahydroindazole-4-carboxylic acid

4-amino-3-bromo-1,5,6,7-tetrahydroindazole-4-carboxylic acid (PubChem CID 83913319) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 4-amino-3-bromo-1,5,6,7-tetrahydroindazole-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-bromo-1,5,6,7-tetrahydroindazole-4-carboxylic acid
PubChem CID83913319
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name4-amino-3-bromo-1,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESNC1(C(=O)O)CCCc2[nH]nc(Br)c21
InChIInChI=1S/C8H10BrN3O2/c9-6-5-4(11-12-6)2-1-3-8(5,10)7(13)14/h1-3,10H2,(H,11,12)(H,13,14)
InChIKeyJNWTVZYEPCQGBV-UHFFFAOYSA-N
XLogP0.75
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid hydrochloride
CID 177800146
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 73357529
(4R)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 97103045
(4S)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 97103046
2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)acetic acid
CID 175001193
3-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid
CID 73357528
3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 73357530
3-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 73357531
3-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 83861923
3-cyclopropyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 83861933
3,6,6-Trimethyl-2,4,5,7-tetrahydroindazole-4-carboxylic acid
CID 83862106
4-Amino-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83906475

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The IUPAC name of 4-amino-3-bromo-1,5,6,7-tetrahydroindazole-4-carboxylic acid (CID 83913319) is 4-amino-3-bromo-1,5,6,7-tetrahydroindazole-4-carboxylic acid.
What is the SMILES notation for 4-amino-3-bromo-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The canonical SMILES for 4-amino-3-bromo-1,5,6,7-tetrahydroindazole-4-carboxylic acid is NC1(C(=O)O)CCCc2[nH]nc(Br)c21.
What is the InChIKey of 4-amino-3-bromo-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
The InChIKey is JNWTVZYEPCQGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c9-6-5-4(11-12-6)2-1-3-8(5,10)7(13)14/h1-3,10H2,(H,11,12)(H,13,14).
What are the key properties of 4-amino-3-bromo-1,5,6,7-tetrahydroindazole-4-carboxylic acid?
4-amino-3-bromo-1,5,6,7-tetrahydroindazole-4-carboxylic acid has a molecular weight of 260.09 g/mol, XLogP of 0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-1,5,6,7-tetrahydroindazole-4-carboxylic acid is sourced from PubChem (CID 83913319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).