ethyl 4-pyrazolo[5,4-c]pyridin-1-ylbutanoate

C12H15N3O2 — CID 155778337

IUPACethyl 4-pyrazolo[5,4-c]pyridin-1-ylbutanoate
SMILESCCOC(=O)CCCn1ncc2ccncc21
InChIInChI=1S/C12H15N3O2/c1-2-17-12(16)4-3-7-15-11-9-13-6-5-10(11)8-14-15/h5-6,8-9H,2-4,7H2,1H3
InChIKeyLYKNGSQCWDDUFN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.77
Rot. Bonds5

About ethyl 4-pyrazolo[5,4-c]pyridin-1-ylbutanoate

ethyl 4-pyrazolo[5,4-c]pyridin-1-ylbutanoate (PubChem CID 155778337) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 4-pyrazolo[5,4-c]pyridin-1-ylbutanoate.

Molecular Properties

Compound Nameethyl 4-pyrazolo[5,4-c]pyridin-1-ylbutanoate
PubChem CID155778337
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Nameethyl 4-pyrazolo[5,4-c]pyridin-1-ylbutanoate
SMILESCCOC(=O)CCCn1ncc2ccncc21
InChIInChI=1S/C12H15N3O2/c1-2-17-12(16)4-3-7-15-11-9-13-6-5-10(11)8-14-15/h5-6,8-9H,2-4,7H2,1H3
InChIKeyLYKNGSQCWDDUFN-UHFFFAOYSA-N
XLogP1.77
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-pyrazolo[5,4-c]pyridin-1-ylbutanoate?
The IUPAC name of ethyl 4-pyrazolo[5,4-c]pyridin-1-ylbutanoate (CID 155778337) is ethyl 4-pyrazolo[5,4-c]pyridin-1-ylbutanoate.
What is the SMILES notation for ethyl 4-pyrazolo[5,4-c]pyridin-1-ylbutanoate?
The canonical SMILES for ethyl 4-pyrazolo[5,4-c]pyridin-1-ylbutanoate is CCOC(=O)CCCn1ncc2ccncc21.
What is the InChIKey of ethyl 4-pyrazolo[5,4-c]pyridin-1-ylbutanoate?
The InChIKey is LYKNGSQCWDDUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-17-12(16)4-3-7-15-11-9-13-6-5-10(11)8-14-15/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of ethyl 4-pyrazolo[5,4-c]pyridin-1-ylbutanoate?
ethyl 4-pyrazolo[5,4-c]pyridin-1-ylbutanoate has a molecular weight of 233.27 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-pyrazolo[5,4-c]pyridin-1-ylbutanoate is sourced from PubChem (CID 155778337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).