5-ethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

C10H14N2O2 — CID 3159641

IUPAC5-ethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESCCC1CCc2[nH]nc(C(=O)O)c2C1
InChIInChI=1S/C10H14N2O2/c1-2-6-3-4-8-7(5-6)9(10(13)14)12-11-8/h6H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyPPQQUGJFBVPEOE-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.62
Rot. Bonds2

About 5-ethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

5-ethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (PubChem CID 3159641) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-ethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
PubChem CID3159641
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name5-ethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILESCCC1CCc2[nH]nc(C(=O)O)c2C1
InChIInChI=1S/C10H14N2O2/c1-2-6-3-4-8-7(5-6)9(10(13)14)12-11-8/h6H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyPPQQUGJFBVPEOE-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The IUPAC name of 5-ethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid (CID 3159641) is 5-ethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is CCC1CCc2[nH]nc(C(=O)O)c2C1.
What is the InChIKey of 5-ethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
The InChIKey is PPQQUGJFBVPEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-6-3-4-8-7(5-6)9(10(13)14)12-11-8/h6H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-ethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid?
5-ethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 3159641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).