2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)propanoic acid

C10H14N2O2 — CID 83907718

IUPAC2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)propanoic acid
SMILESCC(C(=O)O)C1CCCc2[nH]ncc21
InChIInChI=1S/C10H14N2O2/c1-6(10(13)14)7-3-2-4-9-8(7)5-11-12-9/h5-7H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyNAGYHIUPYBJRAR-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.55
Rot. Bonds2

About 2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)propanoic acid

2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)propanoic acid (PubChem CID 83907718) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)propanoic acid
PubChem CID83907718
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)propanoic acid
SMILESCC(C(=O)O)C1CCCc2[nH]ncc21
InChIInChI=1S/C10H14N2O2/c1-6(10(13)14)7-3-2-4-9-8(7)5-11-12-9/h5-7H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyNAGYHIUPYBJRAR-UHFFFAOYSA-N
XLogP1.55
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)propanoic 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-6-carboxylic acid
CID 56807087
methyl 4,5,6,7-tetrahydro-1H-indazole-6-carboxylate
CID 54595497
methyl 4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 55279075
4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
CID 68504449
4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 71607210
3-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 73357524
4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 71695302
methyl 4,5,6,7-tetrahydro-1H-indazole-4-carboxylate
CID 71756054
2-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetic acid
CID 82409068
2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid
CID 82409116
2-(4-(2,2-dimethylpropyl)-1H-pyrazol-3-yl)acetic acid
CID 96622066
methyl 4,5,6,7-tetrahydro-1H-indazole-7-carboxylate
CID 117274044

Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)propanoic acid?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)propanoic acid (CID 83907718) is 2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)propanoic acid?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)propanoic acid is CC(C(=O)O)C1CCCc2[nH]ncc21.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)propanoic acid?
The InChIKey is NAGYHIUPYBJRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6(10(13)14)7-3-2-4-9-8(7)5-11-12-9/h5-7H,2-4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)propanoic acid?
2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-1H-indazol-4-yl)propanoic acid is sourced from PubChem (CID 83907718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).