2-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)acetic acid

C9H12N2O3 — CID 86719771

IUPAC2-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)acetic acid
SMILESO=C(O)Cn1[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C9H12N2O3/c12-8(13)5-11-7-4-2-1-3-6(7)9(14)10-11/h1-5H2,(H,10,14)(H,12,13)
InChIKeyYZDKCZJGIAJLAZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.14
Rot. Bonds2

About 2-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)acetic acid

2-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)acetic acid (PubChem CID 86719771) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)acetic acid
PubChem CID86719771
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)acetic acid
SMILESO=C(O)Cn1[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C9H12N2O3/c12-8(13)5-11-7-4-2-1-3-6(7)9(14)10-11/h1-5H2,(H,10,14)(H,12,13)
InChIKeyYZDKCZJGIAJLAZ-UHFFFAOYSA-N
XLogP0.14
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate
CID 66022357
2-(2-ethyl-3-oxo-2,3,4,5,6,7-hexahydro-1H-indazol-1-yl)acetic acid
CID 71186933
tert-butyl 2-(3-oxo-2,3,4,5,6,7-hexahydro-1H-indazol-1-yl)acetate
CID 71187040
1-ethyl-4,5,6,7-tetrahydro-2H-indazol-3-one
CID 105433128
tert-butyl 2-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)acetate;ethane
CID 144505809
2-(2-hydroxyethyl)-1,2,4,5,6,7-hexahydro-3H-indazol-3-one
CID 1480738
2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetic acid
CID 66023178
2-(3-Oxo-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl)acetic acid
CID 66023180
3-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)propanoic acid
CID 105463897
3-(3-hydroxy-4,5,6,7-tetrahydro-1H-indazol-1-yl)propanoic acid
CID 154814245

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)acetic acid?
The IUPAC name of 2-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)acetic acid (CID 86719771) is 2-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)acetic acid?
The canonical SMILES for 2-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)acetic acid is O=C(O)Cn1[nH]c(=O)c2c1CCCC2.
What is the InChIKey of 2-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)acetic acid?
The InChIKey is YZDKCZJGIAJLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-8(13)5-11-7-4-2-1-3-6(7)9(14)10-11/h1-5H2,(H,10,14)(H,12,13).
What are the key properties of 2-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)acetic acid?
2-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)acetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)acetic acid is sourced from PubChem (CID 86719771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).