ethyl 1H-pyrazolo[4,5-c]pyridine-4-carboxylate

C9H9N3O2 — CID 76847175

IUPACethyl 1H-pyrazolo[4,5-c]pyridine-4-carboxylate
SMILESCCOC(=O)c1nccc2[nH]ncc12
InChIInChI=1S/C9H9N3O2/c1-2-14-9(13)8-6-5-11-12-7(6)3-4-10-8/h3-5H,2H2,1H3,(H,11,12)
InChIKeyHQQFRGLZWGMSCT-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.13
Rot. Bonds2

About ethyl 1H-pyrazolo[4,5-c]pyridine-4-carboxylate

ethyl 1H-pyrazolo[4,5-c]pyridine-4-carboxylate (PubChem CID 76847175) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is ethyl 1H-pyrazolo[4,5-c]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1H-pyrazolo[4,5-c]pyridine-4-carboxylate
PubChem CID76847175
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Nameethyl 1H-pyrazolo[4,5-c]pyridine-4-carboxylate
SMILESCCOC(=O)c1nccc2[nH]ncc12
InChIInChI=1S/C9H9N3O2/c1-2-14-9(13)8-6-5-11-12-7(6)3-4-10-8/h3-5H,2H2,1H3,(H,11,12)
InChIKeyHQQFRGLZWGMSCT-UHFFFAOYSA-N
XLogP1.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(6-methoxycarbonyl-2-pyridinyl)amino]-2-oxoethyl] 1H-pyrazolo[4,5-c]pyridine-4-carboxylate
CID 166382697
ethyl 6-hydroxyisoquinoline-1-carboxylate
CID 136951521
ethyl 3-bromopyrazine-2-carboxylate
CID 91884522
ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethyl 5-(5-methyl-1H-pyrazol-4-yl)-2H-triazole-4-carboxylate
CID 165466424
ethyl 5-(4-methyl-1H-pyrazol-5-yl)-2H-triazole-4-carboxylate
CID 165466848
7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide
CID 71115097
4-methoxy-1H-pyrazolo[4,5-c]pyridine
CID 118798037
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
ethyl 1,2,3,4-tetrahydropyrido[4,3-d]pyrimidine-5-carboxylate
CID 141400249
ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate
CID 144671830

Frequently Asked Questions

What is the IUPAC name of ethyl 1H-pyrazolo[4,5-c]pyridine-4-carboxylate?
The IUPAC name of ethyl 1H-pyrazolo[4,5-c]pyridine-4-carboxylate (CID 76847175) is ethyl 1H-pyrazolo[4,5-c]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 1H-pyrazolo[4,5-c]pyridine-4-carboxylate?
The canonical SMILES for ethyl 1H-pyrazolo[4,5-c]pyridine-4-carboxylate is CCOC(=O)c1nccc2[nH]ncc12.
What is the InChIKey of ethyl 1H-pyrazolo[4,5-c]pyridine-4-carboxylate?
The InChIKey is HQQFRGLZWGMSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-2-14-9(13)8-6-5-11-12-7(6)3-4-10-8/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of ethyl 1H-pyrazolo[4,5-c]pyridine-4-carboxylate?
ethyl 1H-pyrazolo[4,5-c]pyridine-4-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1H-pyrazolo[4,5-c]pyridine-4-carboxylate is sourced from PubChem (CID 76847175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).