3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid

C12H16N2O2 — CID 84685730

IUPAC3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
SMILESCn1nc(C2CC2)c2c1CCC(C(=O)O)C2
InChIInChI=1S/C12H16N2O2/c1-14-10-5-4-8(12(15)16)6-9(10)11(13-14)7-2-3-7/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyQYBNADNLYCUFRI-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.49
Rot. Bonds2

About 3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid

3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid (PubChem CID 84685730) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
PubChem CID84685730
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
SMILESCn1nc(C2CC2)c2c1CCC(C(=O)O)C2
InChIInChI=1S/C12H16N2O2/c1-14-10-5-4-8(12(15)16)6-9(10)11(13-14)7-2-3-7/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyQYBNADNLYCUFRI-UHFFFAOYSA-N
XLogP1.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid (CID 84685730) is 3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid is Cn1nc(C2CC2)c2c1CCC(C(=O)O)C2.
What is the InChIKey of 3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid?
The InChIKey is QYBNADNLYCUFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-10-5-4-8(12(15)16)6-9(10)11(13-14)7-2-3-7/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid?
3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid is sourced from PubChem (CID 84685730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).