N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide

C21H20N4O4 — CID 91892718

IUPACN-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide
SMILESCCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccoc4)ccn3n2)cc1
InChIInChI=1S/C21H20N4O4/c1-2-29-17-5-3-15(4-6-17)18-13-19-21(27)24(10-11-25(19)23-18)9-8-22-20(26)16-7-12-28-14-16/h3-7,10-14H,2,8-9H2,1H3,(H,22,26)
InChIKeyCLUDVMHZRJEDQA-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.58
Rot. Bonds7

About N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide

N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide (PubChem CID 91892718) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide
PubChem CID91892718
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide
SMILESCCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccoc4)ccn3n2)cc1
InChIInChI=1S/C21H20N4O4/c1-2-29-17-5-3-15(4-6-17)18-13-19-21(27)24(10-11-25(19)23-18)9-8-22-20(26)16-7-12-28-14-16/h3-7,10-14H,2,8-9H2,1H3,(H,22,26)
InChIKeyCLUDVMHZRJEDQA-UHFFFAOYSA-N
XLogP2.58
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide (CID 91892718) is N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide is CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccoc4)ccn3n2)cc1.
What is the InChIKey of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide?
The InChIKey is CLUDVMHZRJEDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-2-29-17-5-3-15(4-6-17)18-13-19-21(27)24(10-11-25(19)23-18)9-8-22-20(26)16-7-12-28-14-16/h3-7,10-14H,2,8-9H2,1H3,(H,22,26).
What are the key properties of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide?
N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 91892718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).