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

C10H14N2O3 — CID 112716470

IUPAC4-hydroxy-5,5-dimethyl-6,7-dihydro-1H-indazole-4-carboxylic acid
SMILESCC1(C)CCc2[nH]ncc2C1(O)C(=O)O
InChIInChI=1S/C10H14N2O3/c1-9(2)4-3-7-6(5-11-12-7)10(9,15)8(13)14/h5,15H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyMQAGAYPRWCWGQH-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.65
Rot. Bonds1

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

4-hydroxy-5,5-dimethyl-6,7-dihydro-1H-indazole-4-carboxylic acid (PubChem CID 112716470) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-hydroxy-5,5-dimethyl-6,7-dihydro-1H-indazole-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-5,5-dimethyl-6,7-dihydro-1H-indazole-4-carboxylic acid
PubChem CID112716470
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-hydroxy-5,5-dimethyl-6,7-dihydro-1H-indazole-4-carboxylic acid
SMILESCC1(C)CCc2[nH]ncc2C1(O)C(=O)O
InChIInChI=1S/C10H14N2O3/c1-9(2)4-3-7-6(5-11-12-7)10(9,15)8(13)14/h5,15H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyMQAGAYPRWCWGQH-UHFFFAOYSA-N
XLogP0.65
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83906475
methyl 4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylate
CID 83906472
5,5-dimethyl-1,4,6,7-tetrahydroindazole;ethane
CID 144881790
spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]
CID 25220832
(6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 95566509
[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-bicyclo[2.2.2]octanyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 166234515
4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83906646
ethane;5,7,7-trimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 143808003
3-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 122007005
ethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 144959270
spiro[6,7-dihydro-1H-indazole-5,1'-cyclobutane]-4-one
CID 112714436
1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide
CID 130658981

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5,5-dimethyl-6,7-dihydro-1H-indazole-4-carboxylic acid?
The IUPAC name of 4-hydroxy-5,5-dimethyl-6,7-dihydro-1H-indazole-4-carboxylic acid (CID 112716470) is 4-hydroxy-5,5-dimethyl-6,7-dihydro-1H-indazole-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-5,5-dimethyl-6,7-dihydro-1H-indazole-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-5,5-dimethyl-6,7-dihydro-1H-indazole-4-carboxylic acid is CC1(C)CCc2[nH]ncc2C1(O)C(=O)O.
What is the InChIKey of 4-hydroxy-5,5-dimethyl-6,7-dihydro-1H-indazole-4-carboxylic acid?
The InChIKey is MQAGAYPRWCWGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-9(2)4-3-7-6(5-11-12-7)10(9,15)8(13)14/h5,15H,3-4H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 4-hydroxy-5,5-dimethyl-6,7-dihydro-1H-indazole-4-carboxylic acid?
4-hydroxy-5,5-dimethyl-6,7-dihydro-1H-indazole-4-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.65, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5,5-dimethyl-6,7-dihydro-1H-indazole-4-carboxylic acid is sourced from PubChem (CID 112716470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).