ethyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;hydrochloride

C11H14ClN3O2 — CID 138987322

IUPACethyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnn2ccc(CN)cc12.Cl
InChIInChI=1S/C11H13N3O2.ClH/c1-2-16-11(15)9-7-13-14-4-3-8(6-12)5-10(9)14;/h3-5,7H,2,6,12H2,1H3;1H
InChIKeyMHTLJNPCMRUZBW-UHFFFAOYSA-N
MW255.71 g/mol
LogP1.39
Rot. Bonds3

About ethyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;hydrochloride

ethyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;hydrochloride (PubChem CID 138987322) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is ethyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;hydrochloride
PubChem CID138987322
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC Nameethyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnn2ccc(CN)cc12.Cl
InChIInChI=1S/C11H13N3O2.ClH/c1-2-16-11(15)9-7-13-14-4-3-8(6-12)5-10(9)14;/h3-5,7H,2,6,12H2,1H3;1H
InChIKeyMHTLJNPCMRUZBW-UHFFFAOYSA-N
XLogP1.39
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;hydrochloride (CID 138987322) is ethyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;hydrochloride is CCOC(=O)c1cnn2ccc(CN)cc12.Cl.
What is the InChIKey of ethyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;hydrochloride?
The InChIKey is MHTLJNPCMRUZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2.ClH/c1-2-16-11(15)9-7-13-14-4-3-8(6-12)5-10(9)14;/h3-5,7H,2,6,12H2,1H3;1H.
What are the key properties of ethyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;hydrochloride?
ethyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;hydrochloride has a molecular weight of 255.71 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 138987322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).