1-ethyl-4,5,6,7-tetrahydroindazole-6-carboxylic acid

C10H14N2O2 — CID 84720322

IUPAC1-ethyl-4,5,6,7-tetrahydroindazole-6-carboxylic acid
SMILESCCn1ncc2c1CC(C(=O)O)CC2
InChIInChI=1S/C10H14N2O2/c1-2-12-9-5-7(10(13)14)3-4-8(9)6-11-12/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyXMEMEWZXOSXKEF-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.09
Rot. Bonds2

About 1-ethyl-4,5,6,7-tetrahydroindazole-6-carboxylic acid

1-ethyl-4,5,6,7-tetrahydroindazole-6-carboxylic acid (PubChem CID 84720322) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-ethyl-4,5,6,7-tetrahydroindazole-6-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4,5,6,7-tetrahydroindazole-6-carboxylic acid
PubChem CID84720322
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-ethyl-4,5,6,7-tetrahydroindazole-6-carboxylic acid
SMILESCCn1ncc2c1CC(C(=O)O)CC2
InChIInChI=1S/C10H14N2O2/c1-2-12-9-5-7(10(13)14)3-4-8(9)6-11-12/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyXMEMEWZXOSXKEF-UHFFFAOYSA-N
XLogP1.09
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,5,6,7-tetrahydroindazole-6-carboxylic acid?
The IUPAC name of 1-ethyl-4,5,6,7-tetrahydroindazole-6-carboxylic acid (CID 84720322) is 1-ethyl-4,5,6,7-tetrahydroindazole-6-carboxylic acid.
What is the SMILES notation for 1-ethyl-4,5,6,7-tetrahydroindazole-6-carboxylic acid?
The canonical SMILES for 1-ethyl-4,5,6,7-tetrahydroindazole-6-carboxylic acid is CCn1ncc2c1CC(C(=O)O)CC2.
What is the InChIKey of 1-ethyl-4,5,6,7-tetrahydroindazole-6-carboxylic acid?
The InChIKey is XMEMEWZXOSXKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-12-9-5-7(10(13)14)3-4-8(9)6-11-12/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 1-ethyl-4,5,6,7-tetrahydroindazole-6-carboxylic acid?
1-ethyl-4,5,6,7-tetrahydroindazole-6-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,5,6,7-tetrahydroindazole-6-carboxylic acid is sourced from PubChem (CID 84720322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).