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

C10H14N2O3 — CID 83909531

IUPAC2-(4-hydroxy-1-methyl-6,7-dihydro-5H-indazol-4-yl)acetic acid
SMILESCn1ncc2c1CCCC2(O)CC(=O)O
InChIInChI=1S/C10H14N2O3/c1-12-8-3-2-4-10(15,5-9(13)14)7(8)6-11-12/h6,15H,2-5H2,1H3,(H,13,14)
InChIKeyPBPZETUWVMRAHI-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.42
Rot. Bonds2

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

2-(4-hydroxy-1-methyl-6,7-dihydro-5H-indazol-4-yl)acetic acid (PubChem CID 83909531) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(4-hydroxy-1-methyl-6,7-dihydro-5H-indazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-1-methyl-6,7-dihydro-5H-indazol-4-yl)acetic acid
PubChem CID83909531
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(4-hydroxy-1-methyl-6,7-dihydro-5H-indazol-4-yl)acetic acid
SMILESCn1ncc2c1CCCC2(O)CC(=O)O
InChIInChI=1S/C10H14N2O3/c1-12-8-3-2-4-10(15,5-9(13)14)7(8)6-11-12/h6,15H,2-5H2,1H3,(H,13,14)
InChIKeyPBPZETUWVMRAHI-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

1-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 83414588
3-(3-Ethyl-1-methylpyrazol-4-yl)-2,2-difluoro-3-hydroxypropanoic acid
CID 112671100
3-(3-Ethyl-1-methylpyrazol-4-yl)-2-fluoro-3-hydroxypropanoic acid
CID 112671104
2-(1-Ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
CID 67587857
2-[1-(2-Ethenylhexa-1,4-dienyl)-4,5,6,7-tetrahydroindazol-4-yl]acetic acid
CID 91136956
(5R)-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 96088348
(5S)-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 96088349
2-{1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-4-yl}acetic acid
CID 71756326
3-(1,5-Dimethyl-1h-pyrazol-4-yl)-3-hydroxypropanoic acid
CID 79583579
Methyl 2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]butanoate
CID 79583767
Methyl 2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]-3-methylbutanoate
CID 79583860
3-(1,5-Dimethylpyrazol-4-yl)-3-hydroxy-2-methylpropanoic acid
CID 79584040

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1-methyl-6,7-dihydro-5H-indazol-4-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-1-methyl-6,7-dihydro-5H-indazol-4-yl)acetic acid (CID 83909531) is 2-(4-hydroxy-1-methyl-6,7-dihydro-5H-indazol-4-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-1-methyl-6,7-dihydro-5H-indazol-4-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-1-methyl-6,7-dihydro-5H-indazol-4-yl)acetic acid is Cn1ncc2c1CCCC2(O)CC(=O)O.
What is the InChIKey of 2-(4-hydroxy-1-methyl-6,7-dihydro-5H-indazol-4-yl)acetic acid?
The InChIKey is PBPZETUWVMRAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-12-8-3-2-4-10(15,5-9(13)14)7(8)6-11-12/h6,15H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(4-hydroxy-1-methyl-6,7-dihydro-5H-indazol-4-yl)acetic acid?
2-(4-hydroxy-1-methyl-6,7-dihydro-5H-indazol-4-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-(4-hydroxy-1-methyl-6,7-dihydro-5H-indazol-4-yl)acetic acid is sourced from PubChem (CID 83909531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).