ethyl 4-amino-1-quinolin-2-ylpyrazole-3-carboxylate

C15H14N4O2 — CID 107346740

IUPACethyl 4-amino-1-quinolin-2-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc3ccccc3n2)cc1N
InChIInChI=1S/C15H14N4O2/c1-2-21-15(20)14-11(16)9-19(18-14)13-8-7-10-5-3-4-6-12(10)17-13/h3-9H,2,16H2,1H3
InChIKeyYDSQOAUYJRBAOI-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.18
Rot. Bonds3

About ethyl 4-amino-1-quinolin-2-ylpyrazole-3-carboxylate

ethyl 4-amino-1-quinolin-2-ylpyrazole-3-carboxylate (PubChem CID 107346740) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 4-amino-1-quinolin-2-ylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-quinolin-2-ylpyrazole-3-carboxylate
PubChem CID107346740
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Nameethyl 4-amino-1-quinolin-2-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc3ccccc3n2)cc1N
InChIInChI=1S/C15H14N4O2/c1-2-21-15(20)14-11(16)9-19(18-14)13-8-7-10-5-3-4-6-12(10)17-13/h3-9H,2,16H2,1H3
InChIKeyYDSQOAUYJRBAOI-UHFFFAOYSA-N
XLogP2.18
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-quinolin-2-ylpyrazole-3-carboxylate?
The IUPAC name of ethyl 4-amino-1-quinolin-2-ylpyrazole-3-carboxylate (CID 107346740) is ethyl 4-amino-1-quinolin-2-ylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-quinolin-2-ylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1-quinolin-2-ylpyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccc3ccccc3n2)cc1N.
What is the InChIKey of ethyl 4-amino-1-quinolin-2-ylpyrazole-3-carboxylate?
The InChIKey is YDSQOAUYJRBAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-21-15(20)14-11(16)9-19(18-14)13-8-7-10-5-3-4-6-12(10)17-13/h3-9H,2,16H2,1H3.
What are the key properties of ethyl 4-amino-1-quinolin-2-ylpyrazole-3-carboxylate?
ethyl 4-amino-1-quinolin-2-ylpyrazole-3-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-quinolin-2-ylpyrazole-3-carboxylate is sourced from PubChem (CID 107346740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).