4-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)benzoic acid

C13H13N3O2 — CID 117275932

IUPAC4-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2cc3c(n2)CNCC3)cc1
InChIInChI=1S/C13H13N3O2/c17-13(18)9-1-3-11(4-2-9)16-8-10-5-6-14-7-12(10)15-16/h1-4,8,14H,5-7H2,(H,17,18)
InChIKeySJPNNZOBHVFUNS-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.22
Rot. Bonds2

About 4-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)benzoic acid

4-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)benzoic acid (PubChem CID 117275932) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)benzoic acid
PubChem CID117275932
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name4-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2cc3c(n2)CNCC3)cc1
InChIInChI=1S/C13H13N3O2/c17-13(18)9-1-3-11(4-2-9)16-8-10-5-6-14-7-12(10)15-16/h1-4,8,14H,5-7H2,(H,17,18)
InChIKeySJPNNZOBHVFUNS-UHFFFAOYSA-N
XLogP1.22
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 74892061
2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 82394167
4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
CID 82588594
2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;dihydrochloride
CID 133054039
1-[4-[6-(2-methylpropyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-c]azepin-2-yl]phenyl]pyrrolidin-2-one
CID 69182925
2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6-carboxylic acid
CID 159154945
chromium;terephthalic acid
CID 87187082
4-[4-(4-carboxyphenyl)piperazin-1-yl]benzoic acid
CID 86748187
4-(triazirin-1-yl)benzoic acid
CID 5127384
2-tert-butyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
CID 105480661
silver;terephthalic acid;zinc
CID 88512761
zinc;oxygen(2-);terephthalic acid
CID 68542267

Frequently Asked Questions

What is the IUPAC name of 4-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)benzoic acid?
The IUPAC name of 4-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)benzoic acid (CID 117275932) is 4-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)benzoic acid.
What is the SMILES notation for 4-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)benzoic acid?
The canonical SMILES for 4-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)benzoic acid is O=C(O)c1ccc(-n2cc3c(n2)CNCC3)cc1.
What is the InChIKey of 4-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)benzoic acid?
The InChIKey is SJPNNZOBHVFUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-13(18)9-1-3-11(4-2-9)16-8-10-5-6-14-7-12(10)15-16/h1-4,8,14H,5-7H2,(H,17,18).
What are the key properties of 4-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)benzoic acid?
4-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)benzoic acid has a molecular weight of 243.27 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)benzoic acid is sourced from PubChem (CID 117275932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).