4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)benzoic acid

C14H11N3O2 — CID 117275136

IUPAC4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)benzoic acid
SMILESCc1nn(-c2ccc(C(=O)O)cc2)c2ccncc12
InChIInChI=1S/C14H11N3O2/c1-9-12-8-15-7-6-13(12)17(16-9)11-4-2-10(3-5-11)14(18)19/h2-8H,1H3,(H,18,19)
InChIKeyTUWREQHUDJXFIT-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.43
Rot. Bonds2

About 4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)benzoic acid

4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)benzoic acid (PubChem CID 117275136) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)benzoic acid
PubChem CID117275136
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)benzoic acid
SMILESCc1nn(-c2ccc(C(=O)O)cc2)c2ccncc12
InChIInChI=1S/C14H11N3O2/c1-9-12-8-15-7-6-13(12)17(16-9)11-4-2-10(3-5-11)14(18)19/h2-8H,1H3,(H,18,19)
InChIKeyTUWREQHUDJXFIT-UHFFFAOYSA-N
XLogP2.43
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-acetamido-3,5-dimethylpyrazol-1-yl)benzoic acid
CID 50887848
4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoic acid
CID 118027359
4-(5-methylpyrazol-1-yl)benzoic acid
CID 4962781
azane;1,3-dimethylpyrazolo[4,5-c]pyridine
CID 175481142
(3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone
CID 162671475
1,3-dimethylpyrrolo[3,2-c]pyridine-2-carboxylic acid;hydrochloride
CID 69398558
5-amino-1-(4-carboxyphenyl)pyrazole-3-carboxylic acid
CID 82589309
4-(3-cyanoindazol-1-yl)benzoic acid
CID 16678790
1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[4,5-c]pyridine
CID 134439991
2-[2-methyl-4-[[1-[4-(trifluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methoxy]phenoxy]acetic acid
CID 16659757
4-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 81229473
4-(5-amino-3-ethoxycarbonylpyrazol-1-yl)benzoic acid
CID 59001333

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)benzoic acid?
The IUPAC name of 4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)benzoic acid (CID 117275136) is 4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)benzoic acid.
What is the SMILES notation for 4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)benzoic acid?
The canonical SMILES for 4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)benzoic acid is Cc1nn(-c2ccc(C(=O)O)cc2)c2ccncc12.
What is the InChIKey of 4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)benzoic acid?
The InChIKey is TUWREQHUDJXFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-12-8-15-7-6-13(12)17(16-9)11-4-2-10(3-5-11)14(18)19/h2-8H,1H3,(H,18,19).
What are the key properties of 4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)benzoic acid?
4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)benzoic acid has a molecular weight of 253.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpyrazolo[4,5-c]pyridin-1-yl)benzoic acid is sourced from PubChem (CID 117275136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).