1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C15H17N3O — CID 17462643

IUPAC1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCC1c2cccn2CCN1C(=O)Nc1ccccc1
InChIInChI=1S/C15H17N3O/c1-12-14-8-5-9-17(14)10-11-18(12)15(19)16-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,16,19)
InChIKeyXEKRCYUXJWUJBM-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.10
Rot. Bonds1

About 1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 17462643) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID17462643
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCC1c2cccn2CCN1C(=O)Nc1ccccc1
InChIInChI=1S/C15H17N3O/c1-12-14-8-5-9-17(14)10-11-18(12)15(19)16-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,16,19)
InChIKeyXEKRCYUXJWUJBM-UHFFFAOYSA-N
XLogP3.10
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 17462643) is 1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CC1c2cccn2CCN1C(=O)Nc1ccccc1.
What is the InChIKey of 1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is XEKRCYUXJWUJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12-14-8-5-9-17(14)10-11-18(12)15(19)16-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,16,19).
What are the key properties of 1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 17462643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).