2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetic acid

C10H14N2O2 — CID 20887509

IUPAC2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetic acid
SMILESCC1CCc2nn(CC(=O)O)cc2C1
InChIInChI=1S/C10H14N2O2/c1-7-2-3-9-8(4-7)5-12(11-9)6-10(13)14/h5,7H,2-4,6H2,1H3,(H,13,14)
InChIKeyVVHRJENERNBEBU-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.09
Rot. Bonds2

About 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetic acid

2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetic acid (PubChem CID 20887509) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetic acid
PubChem CID20887509
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetic acid
SMILESCC1CCc2nn(CC(=O)O)cc2C1
InChIInChI=1S/C10H14N2O2/c1-7-2-3-9-8(4-7)5-12(11-9)6-10(13)14/h5,7H,2-4,6H2,1H3,(H,13,14)
InChIKeyVVHRJENERNBEBU-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 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetic acid?
The IUPAC name of 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetic acid (CID 20887509) is 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetic acid is CC1CCc2nn(CC(=O)O)cc2C1.
What is the InChIKey of 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetic acid?
The InChIKey is VVHRJENERNBEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-2-3-9-8(4-7)5-12(11-9)6-10(13)14/h5,7H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetic acid?
2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetic 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 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetic acid is sourced from PubChem (CID 20887509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).