ethyl 4-amino-1-isoquinolin-4-ylpyrazole-3-carboxylate

C15H14N4O2 — CID 107346797

IUPACethyl 4-amino-1-isoquinolin-4-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2cncc3ccccc23)cc1N
InChIInChI=1S/C15H14N4O2/c1-2-21-15(20)14-12(16)9-19(18-14)13-8-17-7-10-5-3-4-6-11(10)13/h3-9H,2,16H2,1H3
InChIKeyZQYZZYWINZQDFK-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.18
Rot. Bonds3

About ethyl 4-amino-1-isoquinolin-4-ylpyrazole-3-carboxylate

ethyl 4-amino-1-isoquinolin-4-ylpyrazole-3-carboxylate (PubChem CID 107346797) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 4-amino-1-isoquinolin-4-ylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-isoquinolin-4-ylpyrazole-3-carboxylate
PubChem CID107346797
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Nameethyl 4-amino-1-isoquinolin-4-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2cncc3ccccc23)cc1N
InChIInChI=1S/C15H14N4O2/c1-2-21-15(20)14-12(16)9-19(18-14)13-8-17-7-10-5-3-4-6-11(10)13/h3-9H,2,16H2,1H3
InChIKeyZQYZZYWINZQDFK-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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Related Compounds

ethyl 4-amino-1-quinolin-2-ylpyrazole-3-carboxylate
CID 107346740
ethyl 4-amino-1-(3-bromo-2-carbamoylphenyl)pyrazole-3-carboxylate
CID 107346848
ethyl 4-amino-1-(6-carbamoyl-2-pyridinyl)pyrazole-3-carboxylate
CID 107346831
methyl 4-amino-1-cinnolin-4-ylpyrazole-3-carboxylate
CID 107346195
ethyl 4-amino-1-(3-chloro-2-cyanophenyl)pyrazole-3-carboxylate
CID 107346828
methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate
CID 107346201
ethyl 4-amino-1-(4-methoxypyrimidin-2-yl)pyrazole-3-carboxylate
CID 107346852
ethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate
CID 107345048
ethyl 1-(4-methylphenyl)-4-(naphthalene-1-carbonyl)pyrazole-3-carboxylate
CID 1214564
methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate
CID 107346310
ethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate
CID 164562201
ethyl 4-amino-1-(2,2-difluoro-2-phenylethyl)pyrazole-3-carboxylate
CID 107345044

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-isoquinolin-4-ylpyrazole-3-carboxylate?
The IUPAC name of ethyl 4-amino-1-isoquinolin-4-ylpyrazole-3-carboxylate (CID 107346797) is ethyl 4-amino-1-isoquinolin-4-ylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-isoquinolin-4-ylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1-isoquinolin-4-ylpyrazole-3-carboxylate is CCOC(=O)c1nn(-c2cncc3ccccc23)cc1N.
What is the InChIKey of ethyl 4-amino-1-isoquinolin-4-ylpyrazole-3-carboxylate?
The InChIKey is ZQYZZYWINZQDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-21-15(20)14-12(16)9-19(18-14)13-8-17-7-10-5-3-4-6-11(10)13/h3-9H,2,16H2,1H3.
What are the key properties of ethyl 4-amino-1-isoquinolin-4-ylpyrazole-3-carboxylate?
ethyl 4-amino-1-isoquinolin-4-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-isoquinolin-4-ylpyrazole-3-carboxylate is sourced from PubChem (CID 107346797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).