ethyl 1-(3-amino-4-pyridinyl)pyrazole-4-carboxylate

C11H12N4O2 — CID 81497562

IUPACethyl 1-(3-amino-4-pyridinyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccncc2N)c1
InChIInChI=1S/C11H12N4O2/c1-2-17-11(16)8-5-14-15(7-8)10-3-4-13-6-9(10)12/h3-7H,2,12H2,1H3
InChIKeyZXKUOXFRZXMFFU-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.03
Rot. Bonds3

About ethyl 1-(3-amino-4-pyridinyl)pyrazole-4-carboxylate

ethyl 1-(3-amino-4-pyridinyl)pyrazole-4-carboxylate (PubChem CID 81497562) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 1-(3-amino-4-pyridinyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-amino-4-pyridinyl)pyrazole-4-carboxylate
PubChem CID81497562
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Nameethyl 1-(3-amino-4-pyridinyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccncc2N)c1
InChIInChI=1S/C11H12N4O2/c1-2-17-11(16)8-5-14-15(7-8)10-3-4-13-6-9(10)12/h3-7H,2,12H2,1H3
InChIKeyZXKUOXFRZXMFFU-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 1-(3-amino-4-pyridinyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(3-amino-4-pyridinyl)pyrazole-4-carboxylate (CID 81497562) is ethyl 1-(3-amino-4-pyridinyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-amino-4-pyridinyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(3-amino-4-pyridinyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccncc2N)c1.
What is the InChIKey of ethyl 1-(3-amino-4-pyridinyl)pyrazole-4-carboxylate?
The InChIKey is ZXKUOXFRZXMFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-2-17-11(16)8-5-14-15(7-8)10-3-4-13-6-9(10)12/h3-7H,2,12H2,1H3.
What are the key properties of ethyl 1-(3-amino-4-pyridinyl)pyrazole-4-carboxylate?
ethyl 1-(3-amino-4-pyridinyl)pyrazole-4-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 1-(3-amino-4-pyridinyl)pyrazole-4-carboxylate is sourced from PubChem (CID 81497562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).