4-(carboxymethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

C10H12N2O4 — CID 82591700

IUPAC4-(carboxymethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESO=C(O)CC1CCCc2[nH]nc(C(=O)O)c21
InChIInChI=1S/C10H12N2O4/c13-7(14)4-5-2-1-3-6-8(5)9(10(15)16)12-11-6/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyYZYRVDWXBOUXLA-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.00
Rot. Bonds3

About 4-(carboxymethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

4-(carboxymethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (PubChem CID 82591700) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-(carboxymethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(carboxymethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
PubChem CID82591700
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name4-(carboxymethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESO=C(O)CC1CCCc2[nH]nc(C(=O)O)c21
InChIInChI=1S/C10H12N2O4/c13-7(14)4-5-2-1-3-6-8(5)9(10(15)16)12-11-6/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)
InChIKeyYZYRVDWXBOUXLA-UHFFFAOYSA-N
XLogP1.00
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(carboxymethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
5-Ethyl-4-methyl-1H-pyrazole-3-carboxylic acid
CID 3159638
1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid
CID 655343
5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 3240332
methyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
CID 12491542
ethyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
CID 6624328
5-Ethyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid
CID 3159641
5-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 25163409
5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 25161450
5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 25161462
4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazole-3-carboxylic acid
CID 4426846

Frequently Asked Questions

What is the IUPAC name of 4-(carboxymethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The IUPAC name of 4-(carboxymethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (CID 82591700) is 4-(carboxymethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 4-(carboxymethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The canonical SMILES for 4-(carboxymethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is O=C(O)CC1CCCc2[nH]nc(C(=O)O)c21.
What is the InChIKey of 4-(carboxymethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The InChIKey is YZYRVDWXBOUXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-7(14)4-5-2-1-3-6-8(5)9(10(15)16)12-11-6/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 4-(carboxymethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
4-(carboxymethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carboxymethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 82591700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).