2,5-dimethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide

C15H19N5O2 — CID 91920323

IUPAC2,5-dimethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2Cn3cccc3C(=O)N2C)n(C)n1
InChIInChI=1S/C15H19N5O2/c1-10-7-13(19(3)17-10)14(21)16-8-11-9-20-6-4-5-12(20)15(22)18(11)2/h4-7,11H,8-9H2,1-3H3,(H,16,21)
InChIKeyDLFDPISXRJZHQF-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.41
Rot. Bonds3

About 2,5-dimethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 91920323) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID91920323
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2,5-dimethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2Cn3cccc3C(=O)N2C)n(C)n1
InChIInChI=1S/C15H19N5O2/c1-10-7-13(19(3)17-10)14(21)16-8-11-9-20-6-4-5-12(20)15(22)18(11)2/h4-7,11H,8-9H2,1-3H3,(H,16,21)
InChIKeyDLFDPISXRJZHQF-UHFFFAOYSA-N
XLogP0.41
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide (CID 91920323) is 2,5-dimethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCC2Cn3cccc3C(=O)N2C)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is DLFDPISXRJZHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-7-13(19(3)17-10)14(21)16-8-11-9-20-6-4-5-12(20)15(22)18(11)2/h4-7,11H,8-9H2,1-3H3,(H,16,21).
What are the key properties of 2,5-dimethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide?
2,5-dimethyl-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 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 91920323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).