(4-methoxyphenyl) 1H-pyrazolo[5,4-c]pyridine-4-carboxylate

C14H11N3O3 — CID 123666881

IUPAC(4-methoxyphenyl) 1H-pyrazolo[5,4-c]pyridine-4-carboxylate
SMILESCOc1ccc(OC(=O)c2cncc3[nH]ncc23)cc1
InChIInChI=1S/C14H11N3O3/c1-19-9-2-4-10(5-3-9)20-14(18)12-6-15-8-13-11(12)7-16-17-13/h2-8H,1H3,(H,16,17)
InChIKeyMCVNEUNPWUAHFB-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.19
Rot. Bonds3

About (4-methoxyphenyl) 1H-pyrazolo[5,4-c]pyridine-4-carboxylate

(4-methoxyphenyl) 1H-pyrazolo[5,4-c]pyridine-4-carboxylate (PubChem CID 123666881) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is (4-methoxyphenyl) 1H-pyrazolo[5,4-c]pyridine-4-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl) 1H-pyrazolo[5,4-c]pyridine-4-carboxylate
PubChem CID123666881
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name(4-methoxyphenyl) 1H-pyrazolo[5,4-c]pyridine-4-carboxylate
SMILESCOc1ccc(OC(=O)c2cncc3[nH]ncc23)cc1
InChIInChI=1S/C14H11N3O3/c1-19-9-2-4-10(5-3-9)20-14(18)12-6-15-8-13-11(12)7-16-17-13/h2-8H,1H3,(H,16,17)
InChIKeyMCVNEUNPWUAHFB-UHFFFAOYSA-N
XLogP2.19
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl) 1H-indole-4-carboxylate
CID 150869217
(3-methoxyphenyl) 5-amino-1H-pyrazole-4-carboxylate
CID 117213662
8-methoxy-3H-pyrazolo[3,4-c]quinoline
CID 141354745
ethane;6-methoxy-1H-indazole
CID 144719676
1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360
bis(4-methoxyphenyl) octanedioate
CID 89115465
(4-methoxyphenyl) 2,5-dibromobenzoate
CID 990766
2-O-(4-methoxyphenyl) 1-O-(4-propan-2-ylphenyl) benzene-1,2-dicarboxylate
CID 6426010
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
(4-methoxyphenyl) hydrogen carbonate
CID 19016633
methyl 5-(4-methoxyphenyl)-1H-indazole-7-carboxylate
CID 171662055
(4-methoxyphenyl) 4-amino-1,2-thiazole-5-carboxylate
CID 117218869

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 1H-pyrazolo[5,4-c]pyridine-4-carboxylate?
The IUPAC name of (4-methoxyphenyl) 1H-pyrazolo[5,4-c]pyridine-4-carboxylate (CID 123666881) is (4-methoxyphenyl) 1H-pyrazolo[5,4-c]pyridine-4-carboxylate.
What is the SMILES notation for (4-methoxyphenyl) 1H-pyrazolo[5,4-c]pyridine-4-carboxylate?
The canonical SMILES for (4-methoxyphenyl) 1H-pyrazolo[5,4-c]pyridine-4-carboxylate is COc1ccc(OC(=O)c2cncc3[nH]ncc23)cc1.
What is the InChIKey of (4-methoxyphenyl) 1H-pyrazolo[5,4-c]pyridine-4-carboxylate?
The InChIKey is MCVNEUNPWUAHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-19-9-2-4-10(5-3-9)20-14(18)12-6-15-8-13-11(12)7-16-17-13/h2-8H,1H3,(H,16,17).
What are the key properties of (4-methoxyphenyl) 1H-pyrazolo[5,4-c]pyridine-4-carboxylate?
(4-methoxyphenyl) 1H-pyrazolo[5,4-c]pyridine-4-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 1H-pyrazolo[5,4-c]pyridine-4-carboxylate is sourced from PubChem (CID 123666881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).