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

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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).