ethyl 4-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

C12H19N3O3 — CID 126482386

IUPACethyl 4-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c1N(CCOC)CCC2
InChIInChI=1S/C12H19N3O3/c1-3-18-12(16)10-9-13-15-6-4-5-14(11(10)15)7-8-17-2/h9H,3-8H2,1-2H3
InChIKeyFVVSPSOGEGNGOO-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.92
Rot. Bonds5

About ethyl 4-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 4-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 126482386) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 4-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID126482386
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 4-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c1N(CCOC)CCC2
InChIInChI=1S/C12H19N3O3/c1-3-18-12(16)10-9-13-15-6-4-5-14(11(10)15)7-8-17-2/h9H,3-8H2,1-2H3
InChIKeyFVVSPSOGEGNGOO-UHFFFAOYSA-N
XLogP0.92
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-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 5-amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylate
CID 429881
ethyl 5-[(2,2-dimethylpropanoyl)amino]-1-{2-[(2,2-dimethylpropanoyl)oxy]ethyl}-1H-pyrazole-4-carboxylate
CID 3244478
Ethyl 7-amino-2-morpholino[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 4594296
US11390631, Example 488
CID 134461736
ethyl 4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 135741791
US11390631, Example 401
CID 126482572
ethyl 5-isocyanato-1-methyl-1H-pyrazole-4-carboxylate
CID 83383185
Ethyl 7-(difluoromethyl)-5-methyl-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 4744971
ethyl 6-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136558343
Ethyl 5-propanamido-1-[2-(propanoyloxy)ethyl]-1H-pyrazole-4-carboxylate
CID 45106288
ethyl 5-amino-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazole-4-carboxylate
CID 95619585
Ethyl 5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 135636257

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 4-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 126482386) is ethyl 4-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 4-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c1N(CCOC)CCC2.
What is the InChIKey of ethyl 4-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is FVVSPSOGEGNGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-18-12(16)10-9-13-15-6-4-5-14(11(10)15)7-8-17-2/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 4-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 4-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 126482386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).