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

C9H12N2O2 — CID 82409131

IUPAC2-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetic acid
SMILESO=C(O)CC1CCc2cn[nH]c2C1
InChIInChI=1S/C9H12N2O2/c12-9(13)4-6-1-2-7-5-10-11-8(7)3-6/h5-6H,1-4H2,(H,10,11)(H,12,13)
InChIKeyBWCJXVUHQBAVOE-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.99
Rot. Bonds2

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

2-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetic acid (PubChem CID 82409131) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetic acid.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetic acid
PubChem CID82409131
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetic acid
SMILESO=C(O)CC1CCc2cn[nH]c2C1
InChIInChI=1S/C9H12N2O2/c12-9(13)4-6-1-2-7-5-10-11-8(7)3-6/h5-6H,1-4H2,(H,10,11)(H,12,13)
InChIKeyBWCJXVUHQBAVOE-UHFFFAOYSA-N
XLogP0.99
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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-6-yl)acetic acid?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetic acid (CID 82409131) is 2-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetic acid.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetic acid?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetic acid is O=C(O)CC1CCc2cn[nH]c2C1.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetic acid?
The InChIKey is BWCJXVUHQBAVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-9(13)4-6-1-2-7-5-10-11-8(7)3-6/h5-6H,1-4H2,(H,10,11)(H,12,13).
What are the key properties of 2-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetic acid?
2-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetic acid has a molecular weight of 180.21 g/mol, XLogP of 0.99, 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-6-yl)acetic acid is sourced from PubChem (CID 82409131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).