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

C14H14N2O3 — CID 124552092

IUPAC(5S)-1-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid
SMILESO=C(O)[C@H]1CCc2c(cnn2-c2ccc(O)cc2)C1
InChIInChI=1S/C14H14N2O3/c17-12-4-2-11(3-5-12)16-13-6-1-9(14(18)19)7-10(13)8-15-16/h2-5,8-9,17H,1,6-7H2,(H,18,19)/t9-/m0/s1
InChIKeyUPSQIWZWSVQWAO-VIFPVBQESA-N
MW258.28 g/mol
LogP1.77
Rot. Bonds2

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

(5S)-1-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid (PubChem CID 124552092) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (5S)-1-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid.

Molecular Properties

Compound Name(5S)-1-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid
PubChem CID124552092
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(5S)-1-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid
SMILESO=C(O)[C@H]1CCc2c(cnn2-c2ccc(O)cc2)C1
InChIInChI=1S/C14H14N2O3/c17-12-4-2-11(3-5-12)16-13-6-1-9(14(18)19)7-10(13)8-15-16/h2-5,8-9,17H,1,6-7H2,(H,18,19)/t9-/m0/s1
InChIKeyUPSQIWZWSVQWAO-VIFPVBQESA-N
XLogP1.77
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzoic acid
CID 105485455
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
CID 137005477
1-phenyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-4,5,6,7-tetrahydroindazole-5-carboxamide
CID 66687143
1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxamide
CID 163294861
1-benzyl-4,5,6,7-tetrahydroindazole-5-carbonyl chloride
CID 164753880
4-hydroxy-1-(4-hydroxyphenyl)pyrazole-5-carboxylic acid
CID 117233109
1-(3-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 115058255
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
2-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 66686629
2-(5-amino-4,5,6,7-tetrahydroindazol-1-yl)phenol
CID 83893722
(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 126827187
1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
CID 90787566

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid?
The IUPAC name of (5S)-1-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid (CID 124552092) is (5S)-1-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid.
What is the SMILES notation for (5S)-1-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid?
The canonical SMILES for (5S)-1-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid is O=C(O)[C@H]1CCc2c(cnn2-c2ccc(O)cc2)C1.
What is the InChIKey of (5S)-1-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid?
The InChIKey is UPSQIWZWSVQWAO-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14N2O3/c17-12-4-2-11(3-5-12)16-13-6-1-9(14(18)19)7-10(13)8-15-16/h2-5,8-9,17H,1,6-7H2,(H,18,19)/t9-/m0/s1.
What are the key properties of (5S)-1-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid?
(5S)-1-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid is sourced from PubChem (CID 124552092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).