2-(7-hydroxy-1-methyl-5,6-dihydro-4H-indazol-7-yl)acetic acid

C10H14N2O3 — CID 83909526

IUPAC2-(7-hydroxy-1-methyl-5,6-dihydro-4H-indazol-7-yl)acetic acid
SMILESCn1ncc2c1C(O)(CC(=O)O)CCC2
InChIInChI=1S/C10H14N2O3/c1-12-9-7(6-11-12)3-2-4-10(9,15)5-8(13)14/h6,15H,2-5H2,1H3,(H,13,14)
InChIKeyLSAAUPAQIHILAK-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.42
Rot. Bonds2

About 2-(7-hydroxy-1-methyl-5,6-dihydro-4H-indazol-7-yl)acetic acid

2-(7-hydroxy-1-methyl-5,6-dihydro-4H-indazol-7-yl)acetic acid (PubChem CID 83909526) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(7-hydroxy-1-methyl-5,6-dihydro-4H-indazol-7-yl)acetic acid.

Molecular Properties

Compound Name2-(7-hydroxy-1-methyl-5,6-dihydro-4H-indazol-7-yl)acetic acid
PubChem CID83909526
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(7-hydroxy-1-methyl-5,6-dihydro-4H-indazol-7-yl)acetic acid
SMILESCn1ncc2c1C(O)(CC(=O)O)CCC2
InChIInChI=1S/C10H14N2O3/c1-12-9-7(6-11-12)3-2-4-10(9,15)5-8(13)14/h6,15H,2-5H2,1H3,(H,13,14)
InChIKeyLSAAUPAQIHILAK-UHFFFAOYSA-N
XLogP0.42
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxy-2-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid
CID 82399795
2-(2-Methyl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid
CID 82401248
2-(1-Methyl-4,5,6,7-tetrahydroindazol-5-yl)acetic acid
CID 83818433
2-(1-Methyl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid
CID 83878891
2-(1-Propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetic acid
CID 83890630
7-(aminomethyl)-1-methyl-5,6-dihydro-4H-indazol-7-ol
CID 83906517
7-(2-aminoethyl)-1-methyl-5,6-dihydro-4H-indazol-7-ol
CID 83907841
2-(7-Hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid
CID 83907954
7-hydroxy-1-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid
CID 83907959
2-(1-Methyl-4,5,6,7-tetrahydroindazol-7-yl)propanoic acid
CID 83909228
2-(2-Methyl-4,5,6,7-tetrahydroindazol-7-yl)propanoic acid
CID 83909229
2-(7-hydroxy-2-methyl-5,6-dihydro-4H-indazol-7-yl)acetic acid
CID 83909527

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-1-methyl-5,6-dihydro-4H-indazol-7-yl)acetic acid?
The IUPAC name of 2-(7-hydroxy-1-methyl-5,6-dihydro-4H-indazol-7-yl)acetic acid (CID 83909526) is 2-(7-hydroxy-1-methyl-5,6-dihydro-4H-indazol-7-yl)acetic acid.
What is the SMILES notation for 2-(7-hydroxy-1-methyl-5,6-dihydro-4H-indazol-7-yl)acetic acid?
The canonical SMILES for 2-(7-hydroxy-1-methyl-5,6-dihydro-4H-indazol-7-yl)acetic acid is Cn1ncc2c1C(O)(CC(=O)O)CCC2.
What is the InChIKey of 2-(7-hydroxy-1-methyl-5,6-dihydro-4H-indazol-7-yl)acetic acid?
The InChIKey is LSAAUPAQIHILAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-12-9-7(6-11-12)3-2-4-10(9,15)5-8(13)14/h6,15H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(7-hydroxy-1-methyl-5,6-dihydro-4H-indazol-7-yl)acetic acid?
2-(7-hydroxy-1-methyl-5,6-dihydro-4H-indazol-7-yl)acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-1-methyl-5,6-dihydro-4H-indazol-7-yl)acetic acid is sourced from PubChem (CID 83909526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).