ethyl 4-amino-1-(6-carbamoyl-2-pyridinyl)pyrazole-3-carboxylate

C12H13N5O3 — CID 107346831

IUPACethyl 4-amino-1-(6-carbamoyl-2-pyridinyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2cccc(C(N)=O)n2)cc1N
InChIInChI=1S/C12H13N5O3/c1-2-20-12(19)10-7(13)6-17(16-10)9-5-3-4-8(15-9)11(14)18/h3-6H,2,13H2,1H3,(H2,14,18)
InChIKeyISXRIRZPADAUNP-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.13
Rot. Bonds4

About ethyl 4-amino-1-(6-carbamoyl-2-pyridinyl)pyrazole-3-carboxylate

ethyl 4-amino-1-(6-carbamoyl-2-pyridinyl)pyrazole-3-carboxylate (PubChem CID 107346831) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is ethyl 4-amino-1-(6-carbamoyl-2-pyridinyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-(6-carbamoyl-2-pyridinyl)pyrazole-3-carboxylate
PubChem CID107346831
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Nameethyl 4-amino-1-(6-carbamoyl-2-pyridinyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2cccc(C(N)=O)n2)cc1N
InChIInChI=1S/C12H13N5O3/c1-2-20-12(19)10-7(13)6-17(16-10)9-5-3-4-8(15-9)11(14)18/h3-6H,2,13H2,1H3,(H2,14,18)
InChIKeyISXRIRZPADAUNP-UHFFFAOYSA-N
XLogP0.13
TPSA126.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-amino-1-(6-carbamoyl-2-pyridinyl)pyrazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-amino-1-quinolin-2-ylpyrazole-3-carboxylate
CID 107346740
4-amino-1-(6-chloro-2-pyridinyl)pyrazole-3-carboxamide
CID 141324742
ethyl 4-amino-1-(3-bromo-2-carbamoylphenyl)pyrazole-3-carboxylate
CID 107346848
ethyl 4-amino-1-isoquinolin-4-ylpyrazole-3-carboxylate
CID 107346797
ethyl 4-amino-1-(3-chloro-2-cyanophenyl)pyrazole-3-carboxylate
CID 107346828
ethyl 4-amino-1-(4-methoxypyrimidin-2-yl)pyrazole-3-carboxylate
CID 107346852
4-amino-1-(6-cyano-2-pyridinyl)pyrazole-3-carboxamide
CID 107346512
ethyl 6-piperidin-1-ylpyridine-2-carboxylate
CID 146501154
methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate
CID 107346290
4-amino-1-(5-bromo-6-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 114047380
ethyl 4-amino-1-(2-hydroxyethyl)pyrazole-3-carboxylate
CID 107344782
methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate
CID 107346365

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-(6-carbamoyl-2-pyridinyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 4-amino-1-(6-carbamoyl-2-pyridinyl)pyrazole-3-carboxylate (CID 107346831) is ethyl 4-amino-1-(6-carbamoyl-2-pyridinyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-(6-carbamoyl-2-pyridinyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1-(6-carbamoyl-2-pyridinyl)pyrazole-3-carboxylate is CCOC(=O)c1nn(-c2cccc(C(N)=O)n2)cc1N.
What is the InChIKey of ethyl 4-amino-1-(6-carbamoyl-2-pyridinyl)pyrazole-3-carboxylate?
The InChIKey is ISXRIRZPADAUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-2-20-12(19)10-7(13)6-17(16-10)9-5-3-4-8(15-9)11(14)18/h3-6H,2,13H2,1H3,(H2,14,18).
What are the key properties of ethyl 4-amino-1-(6-carbamoyl-2-pyridinyl)pyrazole-3-carboxylate?
ethyl 4-amino-1-(6-carbamoyl-2-pyridinyl)pyrazole-3-carboxylate has a molecular weight of 275.27 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-(6-carbamoyl-2-pyridinyl)pyrazole-3-carboxylate is sourced from PubChem (CID 107346831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).