ethyl 1,3-dimethylpyrazolo[3,4-c]pyridine-5-carboxylate

C11H13N3O2 — CID 12529967

IUPACethyl 1,3-dimethylpyrazolo[3,4-c]pyridine-5-carboxylate
SMILESCCOC(=O)c1cc2c(C)nn(C)c2cn1
InChIInChI=1S/C11H13N3O2/c1-4-16-11(15)9-5-8-7(2)13-14(3)10(8)6-12-9/h5-6H,4H2,1-3H3
InChIKeyKDWAORPTPXMZNQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.45
Rot. Bonds2

About ethyl 1,3-dimethylpyrazolo[3,4-c]pyridine-5-carboxylate

ethyl 1,3-dimethylpyrazolo[3,4-c]pyridine-5-carboxylate (PubChem CID 12529967) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 1,3-dimethylpyrazolo[3,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-dimethylpyrazolo[3,4-c]pyridine-5-carboxylate
PubChem CID12529967
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Nameethyl 1,3-dimethylpyrazolo[3,4-c]pyridine-5-carboxylate
SMILESCCOC(=O)c1cc2c(C)nn(C)c2cn1
InChIInChI=1S/C11H13N3O2/c1-4-16-11(15)9-5-8-7(2)13-14(3)10(8)6-12-9/h5-6H,4H2,1-3H3
InChIKeyKDWAORPTPXMZNQ-UHFFFAOYSA-N
XLogP1.45
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4,5-diethylpyridine-2-carboxylate
CID 144863109
ethyl 5-chloro-4-methylpyridine-2-carboxylate
CID 13481444
ethyl 5-fluoro-1-methylpyrazole-3-carboxylate
CID 155722987
ethyl 9-(4-fluorophenyl)pyrido[3,4-b]indole-3-carboxylate;hydrobromide
CID 46907522
ethyl 9-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-3-carboxylate
CID 122187131
carbon dioxide;ethyl 1,5-dimethylpyrazole-3-carboxylate
CID 160757130
ethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate
CID 12043936
ethyl 5-methoxyisoquinoline-3-carboxylate
CID 131699571
ethyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate
CID 90852129
3-chloro-1-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid
CID 105465501
ethyl 4-amino-3-(1,3,5-trimethylpyrazol-4-yl)oxybenzoate
CID 82778841
ethyl 9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
CID 122187130

Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-dimethylpyrazolo[3,4-c]pyridine-5-carboxylate?
The IUPAC name of ethyl 1,3-dimethylpyrazolo[3,4-c]pyridine-5-carboxylate (CID 12529967) is ethyl 1,3-dimethylpyrazolo[3,4-c]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1,3-dimethylpyrazolo[3,4-c]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1,3-dimethylpyrazolo[3,4-c]pyridine-5-carboxylate is CCOC(=O)c1cc2c(C)nn(C)c2cn1.
What is the InChIKey of ethyl 1,3-dimethylpyrazolo[3,4-c]pyridine-5-carboxylate?
The InChIKey is KDWAORPTPXMZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-4-16-11(15)9-5-8-7(2)13-14(3)10(8)6-12-9/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 1,3-dimethylpyrazolo[3,4-c]pyridine-5-carboxylate?
ethyl 1,3-dimethylpyrazolo[3,4-c]pyridine-5-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-dimethylpyrazolo[3,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 12529967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).