ethyl 6-(3-methoxyphenyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxylate

C20H22N4O4 — CID 71273464

IUPACethyl 6-(3-methoxyphenyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2c(N3CCOCC3)nc(-c3cccc(OC)c3)cn2n1
InChIInChI=1S/C20H22N4O4/c1-3-28-20(25)16-12-18-19(23-7-9-27-10-8-23)21-17(13-24(18)22-16)14-5-4-6-15(11-14)26-2/h4-6,11-13H,3,7-10H2,1-2H3
InChIKeyRGHSFYMEGQPNNV-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.42
Rot. Bonds5

About ethyl 6-(3-methoxyphenyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxylate

ethyl 6-(3-methoxyphenyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 71273464) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is ethyl 6-(3-methoxyphenyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3-methoxyphenyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID71273464
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Nameethyl 6-(3-methoxyphenyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2c(N3CCOCC3)nc(-c3cccc(OC)c3)cn2n1
InChIInChI=1S/C20H22N4O4/c1-3-28-20(25)16-12-18-19(23-7-9-27-10-8-23)21-17(13-24(18)22-16)14-5-4-6-15(11-14)26-2/h4-6,11-13H,3,7-10H2,1-2H3
InChIKeyRGHSFYMEGQPNNV-UHFFFAOYSA-N
XLogP2.42
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-methoxyphenyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 6-(3-methoxyphenyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxylate (CID 71273464) is ethyl 6-(3-methoxyphenyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 6-(3-methoxyphenyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 6-(3-methoxyphenyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2c(N3CCOCC3)nc(-c3cccc(OC)c3)cn2n1.
What is the InChIKey of ethyl 6-(3-methoxyphenyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is RGHSFYMEGQPNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-3-28-20(25)16-12-18-19(23-7-9-27-10-8-23)21-17(13-24(18)22-16)14-5-4-6-15(11-14)26-2/h4-6,11-13H,3,7-10H2,1-2H3.
What are the key properties of ethyl 6-(3-methoxyphenyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxylate?
ethyl 6-(3-methoxyphenyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-methoxyphenyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 71273464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).