3-(methoxymethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid

C10H14N2O3 — CID 71222975

IUPAC3-(methoxymethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
SMILESCOCc1n[nH]c2c1CC(C(=O)O)CC2
InChIInChI=1S/C10H14N2O3/c1-15-5-9-7-4-6(10(13)14)2-3-8(7)11-12-9/h6H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyWLCULOCEBPPNNP-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.75
Rot. Bonds3

About 3-(methoxymethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid

3-(methoxymethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid (PubChem CID 71222975) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(methoxymethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
PubChem CID71222975
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(methoxymethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
SMILESCOCc1n[nH]c2c1CC(C(=O)O)CC2
InChIInChI=1S/C10H14N2O3/c1-15-5-9-7-4-6(10(13)14)2-3-8(7)11-12-9/h6H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyWLCULOCEBPPNNP-UHFFFAOYSA-N
XLogP0.75
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-(methoxymethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid (CID 71222975) is 3-(methoxymethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-(methoxymethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-(methoxymethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid is COCc1n[nH]c2c1CC(C(=O)O)CC2.
What is the InChIKey of 3-(methoxymethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid?
The InChIKey is WLCULOCEBPPNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-15-5-9-7-4-6(10(13)14)2-3-8(7)11-12-9/h6H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-(methoxymethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid?
3-(methoxymethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 71222975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).