ethyl 3-(2-chlorophenyl)-4-oxo-2-piperazin-1-yl-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate

C19H20ClN5O3 — CID 11690686

IUPACethyl 3-(2-chlorophenyl)-4-oxo-2-piperazin-1-yl-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate
SMILESCCOC(=O)c1cn2nc(N3CCNCC3)c(-c3ccccc3Cl)c2c(=O)[nH]1
InChIInChI=1S/C19H20ClN5O3/c1-2-28-19(27)14-11-25-16(18(26)22-14)15(12-5-3-4-6-13(12)20)17(23-25)24-9-7-21-8-10-24/h3-6,11,21H,2,7-10H2,1H3,(H,22,26)
InChIKeyVURLIMPJBBCUOO-UHFFFAOYSA-N
MW401.85 g/mol
LogP1.93
Rot. Bonds4

About ethyl 3-(2-chlorophenyl)-4-oxo-2-piperazin-1-yl-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate

ethyl 3-(2-chlorophenyl)-4-oxo-2-piperazin-1-yl-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate (PubChem CID 11690686) has the molecular formula C19H20ClN5O3 and a molecular weight of 401.85 g/mol. Its IUPAC name is ethyl 3-(2-chlorophenyl)-4-oxo-2-piperazin-1-yl-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-chlorophenyl)-4-oxo-2-piperazin-1-yl-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate
PubChem CID11690686
Molecular FormulaC19H20ClN5O3
Molecular Weight401.85 g/mol
Exact Mass401.13
IUPAC Nameethyl 3-(2-chlorophenyl)-4-oxo-2-piperazin-1-yl-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate
SMILESCCOC(=O)c1cn2nc(N3CCNCC3)c(-c3ccccc3Cl)c2c(=O)[nH]1
InChIInChI=1S/C19H20ClN5O3/c1-2-28-19(27)14-11-25-16(18(26)22-14)15(12-5-3-4-6-13(12)20)17(23-25)24-9-7-21-8-10-24/h3-6,11,21H,2,7-10H2,1H3,(H,22,26)
InChIKeyVURLIMPJBBCUOO-UHFFFAOYSA-N
XLogP1.93
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-chlorophenyl)-4-oxo-2-piperazin-1-yl-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate?
The IUPAC name of ethyl 3-(2-chlorophenyl)-4-oxo-2-piperazin-1-yl-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate (CID 11690686) is ethyl 3-(2-chlorophenyl)-4-oxo-2-piperazin-1-yl-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate.
What is the SMILES notation for ethyl 3-(2-chlorophenyl)-4-oxo-2-piperazin-1-yl-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate?
The canonical SMILES for ethyl 3-(2-chlorophenyl)-4-oxo-2-piperazin-1-yl-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate is CCOC(=O)c1cn2nc(N3CCNCC3)c(-c3ccccc3Cl)c2c(=O)[nH]1.
What is the InChIKey of ethyl 3-(2-chlorophenyl)-4-oxo-2-piperazin-1-yl-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate?
The InChIKey is VURLIMPJBBCUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3/c1-2-28-19(27)14-11-25-16(18(26)22-14)15(12-5-3-4-6-13(12)20)17(23-25)24-9-7-21-8-10-24/h3-6,11,21H,2,7-10H2,1H3,(H,22,26).
What are the key properties of ethyl 3-(2-chlorophenyl)-4-oxo-2-piperazin-1-yl-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate?
ethyl 3-(2-chlorophenyl)-4-oxo-2-piperazin-1-yl-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate has a molecular weight of 401.85 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-chlorophenyl)-4-oxo-2-piperazin-1-yl-5H-pyrazolo[1,5-a]pyrazine-6-carboxylate is sourced from PubChem (CID 11690686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).