2-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide

C15H19N5O2 — CID 91920317

IUPAC2-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NCC1Cn2cccc2C(=O)N1C
InChIInChI=1S/C15H19N5O2/c1-3-20-12(6-7-17-20)14(21)16-9-11-10-19-8-4-5-13(19)15(22)18(11)2/h4-8,11H,3,9-10H2,1-2H3,(H,16,21)
InChIKeyFJGZZQQGLQWQPS-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.59
Rot. Bonds4

About 2-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide

2-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 91920317) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID91920317
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NCC1Cn2cccc2C(=O)N1C
InChIInChI=1S/C15H19N5O2/c1-3-20-12(6-7-17-20)14(21)16-9-11-10-19-8-4-5-13(19)15(22)18(11)2/h4-8,11H,3,9-10H2,1-2H3,(H,16,21)
InChIKeyFJGZZQQGLQWQPS-UHFFFAOYSA-N
XLogP0.59
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide (CID 91920317) is 2-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide is CCn1nccc1C(=O)NCC1Cn2cccc2C(=O)N1C.
What is the InChIKey of 2-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is FJGZZQQGLQWQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-3-20-12(6-7-17-20)14(21)16-9-11-10-19-8-4-5-13(19)15(22)18(11)2/h4-8,11H,3,9-10H2,1-2H3,(H,16,21).
What are the key properties of 2-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide?
2-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 91920317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).