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

C10H14N2O2 — CID 83907719

IUPAC2-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanoic acid
SMILESCC(C(=O)O)C1CCCc2cn[nH]c21
InChIInChI=1S/C10H14N2O2/c1-6(10(13)14)8-4-2-3-7-5-11-12-9(7)8/h5-6,8H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyGFHXXZFSICXNEM-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.55
Rot. Bonds2

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

2-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanoic acid (PubChem CID 83907719) 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-7-yl)propanoic acid.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanoic acid
PubChem CID83907719
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanoic acid
SMILESCC(C(=O)O)C1CCCc2cn[nH]c21
InChIInChI=1S/C10H14N2O2/c1-6(10(13)14)8-4-2-3-7-5-11-12-9(7)8/h5-6,8H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyGFHXXZFSICXNEM-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

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Related Compounds

3-(4,5,6,7-tetrahydro-2H-indazol-3-yl)propanoic acid
CID 6483899
4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 56807087
(4R)-4-[(1S,2R,13S,14S,17R,18R)-2,9,9,18-tetramethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,10-trien-17-yl]pentanoic acid
CID 71463075
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
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
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-7-yl)propanoic acid?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanoic acid (CID 83907719) is 2-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanoic acid.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanoic acid?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanoic acid is CC(C(=O)O)C1CCCc2cn[nH]c21.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanoic acid?
The InChIKey is GFHXXZFSICXNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6(10(13)14)8-4-2-3-7-5-11-12-9(7)8/h5-6,8H,2-4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanoic acid?
2-(4,5,6,7-tetrahydro-1H-indazol-7-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-7-yl)propanoic acid is sourced from PubChem (CID 83907719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).