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

C15H16N2O3 — CID 115058216

IUPAC1-(4-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid
SMILESCc1nn(-c2ccc(O)cc2)c2c1CCCC2C(=O)O
InChIInChI=1S/C15H16N2O3/c1-9-12-3-2-4-13(15(19)20)14(12)17(16-9)10-5-7-11(18)8-6-10/h5-8,13,18H,2-4H2,1H3,(H,19,20)
InChIKeyKTOJHYQWMKUSFA-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.39
Rot. Bonds2

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

1-(4-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid (PubChem CID 115058216) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid
PubChem CID115058216
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(4-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid
SMILESCc1nn(-c2ccc(O)cc2)c2c1CCCC2C(=O)O
InChIInChI=1S/C15H16N2O3/c1-9-12-3-2-4-13(15(19)20)14(12)17(16-9)10-5-7-11(18)8-6-10/h5-8,13,18H,2-4H2,1H3,(H,19,20)
InChIKeyKTOJHYQWMKUSFA-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid
CID 115058211
1-(4-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid
CID 115058217
4-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenol
CID 105469602
1-(3-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 115058255
5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
CID 82386293
1,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 83830664
1-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 119166353
5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylic acid
CID 155311271
3,7-dimethyl-1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 82027269
1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16776357
4-[3-(methylamino)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]phenol
CID 83862475
(5S)-1-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 124552092

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid?
The IUPAC name of 1-(4-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid (CID 115058216) is 1-(4-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid is Cc1nn(-c2ccc(O)cc2)c2c1CCCC2C(=O)O.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid?
The InChIKey is KTOJHYQWMKUSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-12-3-2-4-13(15(19)20)14(12)17(16-9)10-5-7-11(18)8-6-10/h5-8,13,18H,2-4H2,1H3,(H,19,20).
What are the key properties of 1-(4-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid?
1-(4-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-7-carboxylic acid is sourced from PubChem (CID 115058216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).