3-(5-oxo-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl)benzoic acid

C19H15N3O3 — CID 134807958

IUPAC3-(5-oxo-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2n[nH]c3c2CC(=O)N(c2ccccc2)C3)c1
InChIInChI=1S/C19H15N3O3/c23-17-10-15-16(11-22(17)14-7-2-1-3-8-14)20-21-18(15)12-5-4-6-13(9-12)19(24)25/h1-9H,10-11H2,(H,20,21)(H,24,25)
InChIKeySEVCSGUSLHBGKN-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.86
Rot. Bonds3

About 3-(5-oxo-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl)benzoic acid

3-(5-oxo-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl)benzoic acid (PubChem CID 134807958) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-(5-oxo-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl)benzoic acid.

Molecular Properties

Compound Name3-(5-oxo-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl)benzoic acid
PubChem CID134807958
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name3-(5-oxo-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2n[nH]c3c2CC(=O)N(c2ccccc2)C3)c1
InChIInChI=1S/C19H15N3O3/c23-17-10-15-16(11-22(17)14-7-2-1-3-8-14)20-21-18(15)12-5-4-6-13(9-12)19(24)25/h1-9H,10-11H2,(H,20,21)(H,24,25)
InChIKeySEVCSGUSLHBGKN-UHFFFAOYSA-N
XLogP2.86
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]benzoic acid
CID 164879178
4-[4-(4-Ethylphenyl)-6-oxo-3-phenyl-1H,4H-pyrrolo[3,4-C]pyrazol-5-YL]benzoic acid
CID 16020038
3-[(4-methylbenzoyl)amino]-5-(1H-pyrazol-5-yl)benzoic acid
CID 164611449
4-[4-(3-Fluorophenyl)-6-oxo-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-C]pyrazol-5-YL]benzoic acid
CID 16020040
4-[3-(4-methylphenyl)-6-oxo-4-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid
CID 16195483
4-[8-(7-methyl-1H-indazole-5-carbonyl)-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid
CID 145986022
4-(6-oxo-3,4-diphenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)benzoic acid
CID 16194380
3-[4-[(E)-3-(2-carbamoylpiperidin-1-yl)-3-oxoprop-1-enyl]-1-phenylpyrazol-3-yl]benzoic acid
CID 175113254
4-{[3-(4-Fluorophenyl)-1H-Indazol-5-Yl]Carbonylamino}Benzoic Acid
CID 22479878
4-[[[3-(4-fluorophenyl)-1H-indazole-5-carbonyl]amino]methyl]benzoic acid
CID 22479990
6-[(2-fluorophenyl)methyl]-3-[3-(hydroxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
CID 134806495
4-[4-[[6-(prop-2-enoylamino)-1-(1H-pyrazol-5-yl)-3,4-dihydronaphthalen-2-yl]methyl]piperazin-1-yl]benzoic acid
CID 177646358

Frequently Asked Questions

What is the IUPAC name of 3-(5-oxo-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl)benzoic acid?
The IUPAC name of 3-(5-oxo-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl)benzoic acid (CID 134807958) is 3-(5-oxo-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl)benzoic acid.
What is the SMILES notation for 3-(5-oxo-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl)benzoic acid?
The canonical SMILES for 3-(5-oxo-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl)benzoic acid is O=C(O)c1cccc(-c2n[nH]c3c2CC(=O)N(c2ccccc2)C3)c1.
What is the InChIKey of 3-(5-oxo-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl)benzoic acid?
The InChIKey is SEVCSGUSLHBGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-17-10-15-16(11-22(17)14-7-2-1-3-8-14)20-21-18(15)12-5-4-6-13(9-12)19(24)25/h1-9H,10-11H2,(H,20,21)(H,24,25).
What are the key properties of 3-(5-oxo-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl)benzoic acid?
3-(5-oxo-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl)benzoic acid has a molecular weight of 333.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxo-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl)benzoic acid is sourced from PubChem (CID 134807958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).