3,7-dimethyl-1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-5-carboxylic acid

C15H17N3O2 — CID 82027269

IUPAC3,7-dimethyl-1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(-c2ccccc2)c2c1CC(C(=O)O)CN2C
InChIInChI=1S/C15H17N3O2/c1-10-13-8-11(15(19)20)9-17(2)14(13)18(16-10)12-6-4-3-5-7-12/h3-7,11H,8-9H2,1-2H3,(H,19,20)
InChIKeySUFPZTSMKXAFMK-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.87
Rot. Bonds2

About 3,7-dimethyl-1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-5-carboxylic acid

3,7-dimethyl-1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-5-carboxylic acid (PubChem CID 82027269) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3,7-dimethyl-1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3,7-dimethyl-1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
PubChem CID82027269
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3,7-dimethyl-1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(-c2ccccc2)c2c1CC(C(=O)O)CN2C
InChIInChI=1S/C15H17N3O2/c1-10-13-8-11(15(19)20)9-17(2)14(13)18(16-10)12-6-4-3-5-7-12/h3-7,11H,8-9H2,1-2H3,(H,19,20)
InChIKeySUFPZTSMKXAFMK-UHFFFAOYSA-N
XLogP1.87
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxyphenyl)-3-methyl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 115058255
cyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone
CID 90506616
5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 121222038
1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697091
5-amino-7-ethyl-3-methyl-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one;aniline
CID 177014693
1-[4-benzamido-3-methyl-1-(3-methylphenyl)pyrazol-5-yl]piperidine-4-carboxylic acid
CID 53213876
3,4,5,8-tetramethyl-1-phenyl-5,6-dihydropyrazolo[4,5-b][1,4]diazepin-7-one
CID 622914
1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-methylpiperidine-4-carboxamide
CID 22581101
(3S)-1-[(Z)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]pyrrolidine-3-carboxamide
CID 97456193
[3,5-bis(5-hydroxy-3-methyl-1-phenylpyrazole-4-carbonyl)phenyl]-(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)methanone
CID 136797774
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]ethanone
CID 90507580
azepan-1-yl-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 9036569

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 3,7-dimethyl-1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-5-carboxylic acid (CID 82027269) is 3,7-dimethyl-1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3,7-dimethyl-1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3,7-dimethyl-1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-5-carboxylic acid is Cc1nn(-c2ccccc2)c2c1CC(C(=O)O)CN2C.
What is the InChIKey of 3,7-dimethyl-1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-5-carboxylic acid?
The InChIKey is SUFPZTSMKXAFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-13-8-11(15(19)20)9-17(2)14(13)18(16-10)12-6-4-3-5-7-12/h3-7,11H,8-9H2,1-2H3,(H,19,20).
What are the key properties of 3,7-dimethyl-1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-5-carboxylic acid?
3,7-dimethyl-1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-5-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 82027269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).