3-(hydroxymethyl)-5-methyl-1,4,6,7-tetrahydroindazole-5-carboxylic acid

C10H14N2O3 — CID 72942814

IUPAC3-(hydroxymethyl)-5-methyl-1,4,6,7-tetrahydroindazole-5-carboxylic acid
SMILESCC1(C(=O)O)CCc2[nH]nc(CO)c2C1
InChIInChI=1S/C10H14N2O3/c1-10(9(14)15)3-2-7-6(4-10)8(5-13)12-11-7/h13H,2-5H2,1H3,(H,11,12)(H,14,15)
InChIKeyQCIILPVBIWPLJZ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.48
Rot. Bonds2

About 3-(hydroxymethyl)-5-methyl-1,4,6,7-tetrahydroindazole-5-carboxylic acid

3-(hydroxymethyl)-5-methyl-1,4,6,7-tetrahydroindazole-5-carboxylic acid (PubChem CID 72942814) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(hydroxymethyl)-5-methyl-1,4,6,7-tetrahydroindazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(hydroxymethyl)-5-methyl-1,4,6,7-tetrahydroindazole-5-carboxylic acid
PubChem CID72942814
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(hydroxymethyl)-5-methyl-1,4,6,7-tetrahydroindazole-5-carboxylic acid
SMILESCC1(C(=O)O)CCc2[nH]nc(CO)c2C1
InChIInChI=1S/C10H14N2O3/c1-10(9(14)15)3-2-7-6(4-10)8(5-13)12-11-7/h13H,2-5H2,1H3,(H,11,12)(H,14,15)
InChIKeyQCIILPVBIWPLJZ-UHFFFAOYSA-N
XLogP0.48
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-5-methyl-1,4,6,7-tetrahydroindazole-5-carboxylic acid?
The IUPAC name of 3-(hydroxymethyl)-5-methyl-1,4,6,7-tetrahydroindazole-5-carboxylic acid (CID 72942814) is 3-(hydroxymethyl)-5-methyl-1,4,6,7-tetrahydroindazole-5-carboxylic acid.
What is the SMILES notation for 3-(hydroxymethyl)-5-methyl-1,4,6,7-tetrahydroindazole-5-carboxylic acid?
The canonical SMILES for 3-(hydroxymethyl)-5-methyl-1,4,6,7-tetrahydroindazole-5-carboxylic acid is CC1(C(=O)O)CCc2[nH]nc(CO)c2C1.
What is the InChIKey of 3-(hydroxymethyl)-5-methyl-1,4,6,7-tetrahydroindazole-5-carboxylic acid?
The InChIKey is QCIILPVBIWPLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(9(14)15)3-2-7-6(4-10)8(5-13)12-11-7/h13H,2-5H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 3-(hydroxymethyl)-5-methyl-1,4,6,7-tetrahydroindazole-5-carboxylic acid?
3-(hydroxymethyl)-5-methyl-1,4,6,7-tetrahydroindazole-5-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-5-methyl-1,4,6,7-tetrahydroindazole-5-carboxylic acid is sourced from PubChem (CID 72942814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).