4-hydroxy-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6,7-dicarboxylic acid

C14H13N3O5 — CID 69149490

IUPAC4-hydroxy-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6,7-dicarboxylic acid
SMILESO=C(O)C1c2c(cnn2-c2ccccc2)C(O)CN1C(=O)O
InChIInChI=1S/C14H13N3O5/c18-10-7-16(14(21)22)12(13(19)20)11-9(10)6-15-17(11)8-4-2-1-3-5-8/h1-6,10,12,18H,7H2,(H,19,20)(H,21,22)
InChIKeyBYLKTQTWZQVRJN-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.02
Rot. Bonds2

About 4-hydroxy-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6,7-dicarboxylic acid

4-hydroxy-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6,7-dicarboxylic acid (PubChem CID 69149490) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is 4-hydroxy-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6,7-dicarboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6,7-dicarboxylic acid
PubChem CID69149490
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name4-hydroxy-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6,7-dicarboxylic acid
SMILESO=C(O)C1c2c(cnn2-c2ccccc2)C(O)CN1C(=O)O
InChIInChI=1S/C14H13N3O5/c18-10-7-16(14(21)22)12(13(19)20)11-9(10)6-15-17(11)8-4-2-1-3-5-8/h1-6,10,12,18H,7H2,(H,19,20)(H,21,22)
InChIKeyBYLKTQTWZQVRJN-UHFFFAOYSA-N
XLogP1.02
TPSA115.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-7-methoxycarbonyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 68931570
(1S)-9-oxo-5-phenyl-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid
CID 68929511
(4R,7S)-4-methyl-1-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazole
CID 852817
(5-cyclopropyl-1-phenylpyrazol-4-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 51933899
(4R,7R)-1-methyl-4-(prop-2-enoxyamino)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6,7-dicarboxylic acid
CID 87801441
4-(2-morpholin-4-ylethyl)-1-phenyl-4,5,6,7-tetrahydroindazol-7-ol
CID 67815038
5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-phenylpyrazole-4-carboxamide
CID 42949142
1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
CID 90787566
(3bS,8bR)-3,8-diphenyl-3b,4,5,8b,9,10-hexahydroindazolo[7,6-g]indazole
CID 90673957
(5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone
CID 39992588
(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid
CID 69232733
1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine
CID 83861524

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6,7-dicarboxylic acid?
The IUPAC name of 4-hydroxy-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6,7-dicarboxylic acid (CID 69149490) is 4-hydroxy-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6,7-dicarboxylic acid.
What is the SMILES notation for 4-hydroxy-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6,7-dicarboxylic acid?
The canonical SMILES for 4-hydroxy-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6,7-dicarboxylic acid is O=C(O)C1c2c(cnn2-c2ccccc2)C(O)CN1C(=O)O.
What is the InChIKey of 4-hydroxy-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6,7-dicarboxylic acid?
The InChIKey is BYLKTQTWZQVRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c18-10-7-16(14(21)22)12(13(19)20)11-9(10)6-15-17(11)8-4-2-1-3-5-8/h1-6,10,12,18H,7H2,(H,19,20)(H,21,22).
What are the key properties of 4-hydroxy-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6,7-dicarboxylic acid?
4-hydroxy-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6,7-dicarboxylic acid has a molecular weight of 303.27 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6,7-dicarboxylic acid is sourced from PubChem (CID 69149490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).