N-[(2-chlorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide

C15H17ClN4O — CID 167935867

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1ncn2c1CNCC2
InChIInChI=1S/C15H17ClN4O/c1-19(9-11-4-2-3-5-12(11)16)15(21)14-13-8-17-6-7-20(13)10-18-14/h2-5,10,17H,6-9H2,1H3
InChIKeyVVGAKXKHQUNBMD-UHFFFAOYSA-N
MW304.78 g/mol
LogP1.91
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide

N-[(2-chlorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 167935867) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID167935867
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1ncn2c1CNCC2
InChIInChI=1S/C15H17ClN4O/c1-19(9-11-4-2-3-5-12(11)16)15(21)14-13-8-17-6-7-20(13)10-18-14/h2-5,10,17H,6-9H2,1H3
InChIKeyVVGAKXKHQUNBMD-UHFFFAOYSA-N
XLogP1.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide (CID 167935867) is N-[(2-chlorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide is CN(Cc1ccccc1Cl)C(=O)c1ncn2c1CNCC2.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is VVGAKXKHQUNBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-19(9-11-4-2-3-5-12(11)16)15(21)14-13-8-17-6-7-20(13)10-18-14/h2-5,10,17H,6-9H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?
N-[(2-chlorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 167935867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).