ethyl 6-(ethylaminomethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

C12H16N4O2 — CID 114514786

IUPACethyl 6-(ethylaminomethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCNCc1cnc2cc(C(=O)OCC)nn2c1
InChIInChI=1S/C12H16N4O2/c1-3-13-6-9-7-14-11-5-10(12(17)18-4-2)15-16(11)8-9/h5,7-8,13H,3-4,6H2,1-2H3
InChIKeyZUIQHYDUQMDIJL-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.02
Rot. Bonds5

About ethyl 6-(ethylaminomethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 6-(ethylaminomethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 114514786) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is ethyl 6-(ethylaminomethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(ethylaminomethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID114514786
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Nameethyl 6-(ethylaminomethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCNCc1cnc2cc(C(=O)OCC)nn2c1
InChIInChI=1S/C12H16N4O2/c1-3-13-6-9-7-14-11-5-10(12(17)18-4-2)15-16(11)8-9/h5,7-8,13H,3-4,6H2,1-2H3
InChIKeyZUIQHYDUQMDIJL-UHFFFAOYSA-N
XLogP1.02
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-(ethylaminomethyl)pyrazolo[1,5-a]pyrimidine-2-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 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate
CID 55234827
2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetamide
CID 62404238
N,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 55219703
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 63784556
N-[(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 104621807
ethyl 6-methyl-4-(methylamino)pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 155346646
N-butan-2-yl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 62405672
6-[(cyclopropylamino)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 114514780
6-ethyl-2-methylpyrazolo[1,5-a]pyrimidine
CID 12773561
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine
CID 62405842
N,N-dimethyl-1-[[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]methyl]cyclobutan-1-amine
CID 105414494
3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate
CID 11287330

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(ethylaminomethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 6-(ethylaminomethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 114514786) is ethyl 6-(ethylaminomethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 6-(ethylaminomethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 6-(ethylaminomethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is CCNCc1cnc2cc(C(=O)OCC)nn2c1.
What is the InChIKey of ethyl 6-(ethylaminomethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is ZUIQHYDUQMDIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-3-13-6-9-7-14-11-5-10(12(17)18-4-2)15-16(11)8-9/h5,7-8,13H,3-4,6H2,1-2H3.
What are the key properties of ethyl 6-(ethylaminomethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 6-(ethylaminomethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 248.29 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(ethylaminomethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 114514786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).