4-amino-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid

C9H13N3O2 — CID 83907787

IUPAC4-amino-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCc1[nH]nc2c1C(N)(C(=O)O)CCC2
InChIInChI=1S/C9H13N3O2/c1-5-7-6(12-11-5)3-2-4-9(7,10)8(13)14/h2-4,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyGSTARVHWWOHJEI-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.29
Rot. Bonds1

About 4-amino-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid

4-amino-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid (PubChem CID 83907787) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-amino-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid
PubChem CID83907787
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-amino-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid
SMILESCc1[nH]nc2c1C(N)(C(=O)O)CCC2
InChIInChI=1S/C9H13N3O2/c1-5-7-6(12-11-5)3-2-4-9(7,10)8(13)14/h2-4,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyGSTARVHWWOHJEI-UHFFFAOYSA-N
XLogP0.29
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid
CID 648852
5-methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 655114
3-(4,5,6,7-tetrahydro-2H-indazol-3-yl)propanoic acid
CID 6483899
5-Ethyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 3159641
2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 21258059
2-(3,5-diethyl-1H-pyrazol-4-yl)acetic acid
CID 50987854
5-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 57561759
(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 7099386
4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 71695302
5,5-difluoro-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 105454102
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid?
The IUPAC name of 4-amino-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid (CID 83907787) is 4-amino-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid.
What is the SMILES notation for 4-amino-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid?
The canonical SMILES for 4-amino-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid is Cc1[nH]nc2c1C(N)(C(=O)O)CCC2.
What is the InChIKey of 4-amino-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid?
The InChIKey is GSTARVHWWOHJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5-7-6(12-11-5)3-2-4-9(7,10)8(13)14/h2-4,10H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 4-amino-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid?
4-amino-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid is sourced from PubChem (CID 83907787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).