ethyl 6-(3-aminopyrazol-1-yl)pyridine-3-carboxylate

C11H12N4O2 — CID 61176223

IUPACethyl 6-(3-aminopyrazol-1-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-n2ccc(N)n2)nc1
InChIInChI=1S/C11H12N4O2/c1-2-17-11(16)8-3-4-10(13-7-8)15-6-5-9(12)14-15/h3-7H,2H2,1H3,(H2,12,14)
InChIKeyUKNCFASVCPDURH-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.03
Rot. Bonds3

About ethyl 6-(3-aminopyrazol-1-yl)pyridine-3-carboxylate

ethyl 6-(3-aminopyrazol-1-yl)pyridine-3-carboxylate (PubChem CID 61176223) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 6-(3-aminopyrazol-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3-aminopyrazol-1-yl)pyridine-3-carboxylate
PubChem CID61176223
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Nameethyl 6-(3-aminopyrazol-1-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-n2ccc(N)n2)nc1
InChIInChI=1S/C11H12N4O2/c1-2-17-11(16)8-3-4-10(13-7-8)15-6-5-9(12)14-15/h3-7H,2H2,1H3,(H2,12,14)
InChIKeyUKNCFASVCPDURH-UHFFFAOYSA-N
XLogP1.03
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-aminopyrazol-1-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(3-aminopyrazol-1-yl)pyridine-3-carboxylate (CID 61176223) is ethyl 6-(3-aminopyrazol-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(3-aminopyrazol-1-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(3-aminopyrazol-1-yl)pyridine-3-carboxylate is CCOC(=O)c1ccc(-n2ccc(N)n2)nc1.
What is the InChIKey of ethyl 6-(3-aminopyrazol-1-yl)pyridine-3-carboxylate?
The InChIKey is UKNCFASVCPDURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-2-17-11(16)8-3-4-10(13-7-8)15-6-5-9(12)14-15/h3-7H,2H2,1H3,(H2,12,14).
What are the key properties of ethyl 6-(3-aminopyrazol-1-yl)pyridine-3-carboxylate?
ethyl 6-(3-aminopyrazol-1-yl)pyridine-3-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-aminopyrazol-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 61176223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).