2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid

C10H14N2O2 — CID 82591215

IUPAC2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
SMILESCn1ncc2c1CCCC2CC(=O)O
InChIInChI=1S/C10H14N2O2/c1-12-9-4-2-3-7(5-10(13)14)8(9)6-11-12/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyVWCGFIIUNFIELU-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.31
Rot. Bonds2

About 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid

2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid (PubChem CID 82591215) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
PubChem CID82591215
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
SMILESCn1ncc2c1CCCC2CC(=O)O
InChIInChI=1S/C10H14N2O2/c1-12-9-4-2-3-7(5-10(13)14)8(9)6-11-12/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyVWCGFIIUNFIELU-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid?
The IUPAC name of 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid (CID 82591215) is 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid is Cn1ncc2c1CCCC2CC(=O)O.
What is the InChIKey of 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid?
The InChIKey is VWCGFIIUNFIELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12-9-4-2-3-7(5-10(13)14)8(9)6-11-12/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid?
2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid has a molecular weight of 194.23 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid is sourced from PubChem (CID 82591215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).