1-(3-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid

C15H16N2O3 — CID 115058255

IUPAC1-(3-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
SMILESCc1nn(-c2cccc(O)c2)c2c1CC(C(=O)O)CC2
InChIInChI=1S/C15H16N2O3/c1-9-13-7-10(15(19)20)5-6-14(13)17(16-9)11-3-2-4-12(18)8-11/h2-4,8,10,18H,5-7H2,1H3,(H,19,20)
InChIKeyNUXPSCLRAXQOBE-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.08
Rot. Bonds2

About 1-(3-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid

1-(3-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid (PubChem CID 115058255) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
PubChem CID115058255
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(3-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
SMILESCc1nn(-c2cccc(O)c2)c2c1CC(C(=O)O)CC2
InChIInChI=1S/C15H16N2O3/c1-9-13-7-10(15(19)20)5-6-14(13)17(16-9)11-3-2-4-12(18)8-11/h2-4,8,10,18H,5-7H2,1H3,(H,19,20)
InChIKeyNUXPSCLRAXQOBE-UHFFFAOYSA-N
XLogP2.08
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,7-dimethyl-1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 82027269
1-[4-benzamido-3-methyl-1-(3-methylphenyl)pyrazol-5-yl]piperidine-4-carboxylic acid
CID 53213876
1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 115031139
3-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzoic acid
CID 82590947
(5S)-1-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 124552092
methyl 3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoate
CID 82585693
3-[5-(aminomethyl)-4,5,6,7-tetrahydrobenzotriazol-1-yl]phenol
CID 84704538
1-(4-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid
CID 115058216
1-(4-fluoro-3-methylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 62812686
1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 84647418
[1-(3-hydroxyphenyl)-3,5-dimethylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 71040668
1-phenyl-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 61296804

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid?
The IUPAC name of 1-(3-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid (CID 115058255) is 1-(3-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid is Cc1nn(-c2cccc(O)c2)c2c1CC(C(=O)O)CC2.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid?
The InChIKey is NUXPSCLRAXQOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-13-7-10(15(19)20)5-6-14(13)17(16-9)11-3-2-4-12(18)8-11/h2-4,8,10,18H,5-7H2,1H3,(H,19,20).
What are the key properties of 1-(3-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid?
1-(3-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid is sourced from PubChem (CID 115058255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).