ethyl 4-methyl-2-pyrazol-1-ylpyrimidine-5-carboxylate

C11H12N4O2 — CID 83181779

IUPACethyl 4-methyl-2-pyrazol-1-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2cccn2)nc1C
InChIInChI=1S/C11H12N4O2/c1-3-17-10(16)9-7-12-11(14-8(9)2)15-6-4-5-13-15/h4-7H,3H2,1-2H3
InChIKeyAOYNAIGIIMGMTE-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.15
Rot. Bonds3

About ethyl 4-methyl-2-pyrazol-1-ylpyrimidine-5-carboxylate

ethyl 4-methyl-2-pyrazol-1-ylpyrimidine-5-carboxylate (PubChem CID 83181779) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 4-methyl-2-pyrazol-1-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-pyrazol-1-ylpyrimidine-5-carboxylate
PubChem CID83181779
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Nameethyl 4-methyl-2-pyrazol-1-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-n2cccn2)nc1C
InChIInChI=1S/C11H12N4O2/c1-3-17-10(16)9-7-12-11(14-8(9)2)15-6-4-5-13-15/h4-7H,3H2,1-2H3
InChIKeyAOYNAIGIIMGMTE-UHFFFAOYSA-N
XLogP1.15
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-methyl-2-pyrazol-1-ylpyrimidine-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-pyrazol-1-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-pyrazol-1-ylpyrimidine-5-carboxylate (CID 83181779) is ethyl 4-methyl-2-pyrazol-1-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-pyrazol-1-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-pyrazol-1-ylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-n2cccn2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-pyrazol-1-ylpyrimidine-5-carboxylate?
The InChIKey is AOYNAIGIIMGMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-3-17-10(16)9-7-12-11(14-8(9)2)15-6-4-5-13-15/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 4-methyl-2-pyrazol-1-ylpyrimidine-5-carboxylate?
ethyl 4-methyl-2-pyrazol-1-ylpyrimidine-5-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-pyrazol-1-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 83181779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).