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

C10H14N2O2 — CID 83878891

IUPAC2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid
SMILESCn1ncc2c1C(CC(=O)O)CCC2
InChIInChI=1S/C10H14N2O2/c1-12-10-7(5-9(13)14)3-2-4-8(10)6-11-12/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyLKPGDWGTDBXDAS-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.31
Rot. Bonds2

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

2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid (PubChem CID 83878891) 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-7-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid
PubChem CID83878891
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid
SMILESCn1ncc2c1C(CC(=O)O)CCC2
InChIInChI=1S/C10H14N2O2/c1-12-10-7(5-9(13)14)3-2-4-8(10)6-11-12/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyLKPGDWGTDBXDAS-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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Related Compounds

1-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 77230337
1-methyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 82409133
1-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 83414588
4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 83680740
2-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid
CID 83906436
4,5,6,7-Tetrahydro-1H-indazole-1-propanoic acid
CID 16765314
3-(1-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl)propanoic acid
CID 82395372
2-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetic acid
CID 82409068
1-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylicacid
CID 83414589
2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridin-3-yl}acetic acid
CID 83875355
2-methyl-4,5,6,7-tetrahydro-2H-indazole-7-carboxylic acid
CID 83875405
1-ethyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 84720322

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid?
The IUPAC name of 2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid (CID 83878891) is 2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid is Cn1ncc2c1C(CC(=O)O)CCC2.
What is the InChIKey of 2-(1-methyl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid?
The InChIKey is LKPGDWGTDBXDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12-10-7(5-9(13)14)3-2-4-8(10)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-7-yl)acetic acid?
2-(1-methyl-4,5,6,7-tetrahydroindazol-7-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-7-yl)acetic acid is sourced from PubChem (CID 83878891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).