4-hydroxy-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid

C9H12N2O3 — CID 83907963

IUPAC4-hydroxy-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid
SMILESCn1ncc2c1CCCC2(O)C(=O)O
InChIInChI=1S/C9H12N2O3/c1-11-7-3-2-4-9(14,8(12)13)6(7)5-10-11/h5,14H,2-4H2,1H3,(H,12,13)
InChIKeyRBUMIQNVZBDOIZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.03
Rot. Bonds1

About 4-hydroxy-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid

4-hydroxy-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid (PubChem CID 83907963) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid
PubChem CID83907963
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-hydroxy-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid
SMILESCn1ncc2c1CCCC2(O)C(=O)O
InChIInChI=1S/C9H12N2O3/c1-11-7-3-2-4-9(14,8(12)13)6(7)5-10-11/h5,14H,2-4H2,1H3,(H,12,13)
InChIKeyRBUMIQNVZBDOIZ-UHFFFAOYSA-N
XLogP0.03
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 77230337
2-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid
CID 83906436
1-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylate
CID 131737191
7-hydroxy-2-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid
CID 82399795
2-(1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)acetic acid
CID 82591215
1-Propan-2-yl-4,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83861850
4-Hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83906645
4-Hydroxy-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid
CID 83906647
7-hydroxy-1-methyl-5,6-dihydro-4H-indazole-7-carboxylic acid
CID 83907959
4-hydroxy-2-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid
CID 83907964
2-(4-hydroxy-1-methyl-6,7-dihydro-5H-indazol-4-yl)acetic acid
CID 83909531
2-(4-hydroxy-2-methyl-6,7-dihydro-5H-indazol-4-yl)acetic acid
CID 83909532

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid (CID 83907963) is 4-hydroxy-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid is Cn1ncc2c1CCCC2(O)C(=O)O.
What is the InChIKey of 4-hydroxy-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid?
The InChIKey is RBUMIQNVZBDOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-11-7-3-2-4-9(14,8(12)13)6(7)5-10-11/h5,14H,2-4H2,1H3,(H,12,13).
What are the key properties of 4-hydroxy-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid?
4-hydroxy-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-6,7-dihydro-5H-indazole-4-carboxylic acid is sourced from PubChem (CID 83907963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).