4-amino-1,3-dimethyl-6,7-dihydro-5H-indazole-4-carboxylic acid

C10H15N3O2 — CID 83909323

IUPAC4-amino-1,3-dimethyl-6,7-dihydro-5H-indazole-4-carboxylic acid
SMILESCc1nn(C)c2c1C(N)(C(=O)O)CCC2
InChIInChI=1S/C10H15N3O2/c1-6-8-7(13(2)12-6)4-3-5-10(8,11)9(14)15/h3-5,11H2,1-2H3,(H,14,15)
InChIKeyBYXMAHUMFPIBGI-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.30
Rot. Bonds1

About 4-amino-1,3-dimethyl-6,7-dihydro-5H-indazole-4-carboxylic acid

4-amino-1,3-dimethyl-6,7-dihydro-5H-indazole-4-carboxylic acid (PubChem CID 83909323) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-amino-1,3-dimethyl-6,7-dihydro-5H-indazole-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1,3-dimethyl-6,7-dihydro-5H-indazole-4-carboxylic acid
PubChem CID83909323
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-amino-1,3-dimethyl-6,7-dihydro-5H-indazole-4-carboxylic acid
SMILESCc1nn(C)c2c1C(N)(C(=O)O)CCC2
InChIInChI=1S/C10H15N3O2/c1-6-8-7(13(2)12-6)4-3-5-10(8,11)9(14)15/h3-5,11H2,1-2H3,(H,14,15)
InChIKeyBYXMAHUMFPIBGI-UHFFFAOYSA-N
XLogP0.30
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 850411
2H-Indazole-3-acetic acid, 4,5,6,7-tetrahydro-2-methyl-
CID 210809
1-Methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 24271319
1-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 77230337
2-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid
CID 83906436
1-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid hydrochloride
CID 121552990
6-Fluoro-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 83854752
5-Fluoro-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 105451338
4-Fluoro-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 105451339
2-fluoro-2-(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)acetic acid
CID 165493430
4,4-difluoro-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)cyclohexane-1-carboxylic acid
CID 165695893
3-(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)propanoic acid
CID 21258074

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-dimethyl-6,7-dihydro-5H-indazole-4-carboxylic acid?
The IUPAC name of 4-amino-1,3-dimethyl-6,7-dihydro-5H-indazole-4-carboxylic acid (CID 83909323) is 4-amino-1,3-dimethyl-6,7-dihydro-5H-indazole-4-carboxylic acid.
What is the SMILES notation for 4-amino-1,3-dimethyl-6,7-dihydro-5H-indazole-4-carboxylic acid?
The canonical SMILES for 4-amino-1,3-dimethyl-6,7-dihydro-5H-indazole-4-carboxylic acid is Cc1nn(C)c2c1C(N)(C(=O)O)CCC2.
What is the InChIKey of 4-amino-1,3-dimethyl-6,7-dihydro-5H-indazole-4-carboxylic acid?
The InChIKey is BYXMAHUMFPIBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-8-7(13(2)12-6)4-3-5-10(8,11)9(14)15/h3-5,11H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-1,3-dimethyl-6,7-dihydro-5H-indazole-4-carboxylic acid?
4-amino-1,3-dimethyl-6,7-dihydro-5H-indazole-4-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dimethyl-6,7-dihydro-5H-indazole-4-carboxylic acid is sourced from PubChem (CID 83909323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).