N-[3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide

C15H23N5O2 — CID 171143230

IUPACN-[3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
SMILESCC(=O)NC1CC2CN(Cc3cnn(C)c3)C(C)C(=O)N2C1
InChIInChI=1S/C15H23N5O2/c1-10-15(22)20-8-13(17-11(2)21)4-14(20)9-19(10)7-12-5-16-18(3)6-12/h5-6,10,13-14H,4,7-9H2,1-3H3,(H,17,21)
InChIKeyMFWWKDBMHGHFIJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.27
Rot. Bonds3

About N-[3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide

N-[3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide (PubChem CID 171143230) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
PubChem CID171143230
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-[3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
SMILESCC(=O)NC1CC2CN(Cc3cnn(C)c3)C(C)C(=O)N2C1
InChIInChI=1S/C15H23N5O2/c1-10-15(22)20-8-13(17-11(2)21)4-14(20)9-19(10)7-12-5-16-18(3)6-12/h5-6,10,13-14H,4,7-9H2,1-3H3,(H,17,21)
InChIKeyMFWWKDBMHGHFIJ-UHFFFAOYSA-N
XLogP-0.27
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide?
The IUPAC name of N-[3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide (CID 171143230) is N-[3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide.
What is the SMILES notation for N-[3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide?
The canonical SMILES for N-[3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide is CC(=O)NC1CC2CN(Cc3cnn(C)c3)C(C)C(=O)N2C1.
What is the InChIKey of N-[3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide?
The InChIKey is MFWWKDBMHGHFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-10-15(22)20-8-13(17-11(2)21)4-14(20)9-19(10)7-12-5-16-18(3)6-12/h5-6,10,13-14H,4,7-9H2,1-3H3,(H,17,21).
What are the key properties of N-[3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide?
N-[3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide has a molecular weight of 305.38 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide is sourced from PubChem (CID 171143230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).