N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C15H25N5O — CID 56757538

IUPACN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N[C@H]1C[C@H]2CN(C)CCN2C1
InChIInChI=1S/C15H25N5O/c1-10-14(11(2)18-17-10)7-15(21)16-12-6-13-9-19(3)4-5-20(13)8-12/h12-13H,4-9H2,1-3H3,(H,16,21)(H,17,18)/t12-,13-/m0/s1
InChIKeyNDPROGYYBLDZAS-STQMWFEESA-N
MW291.40 g/mol
LogP0.07
Rot. Bonds3

About N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 56757538) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID56757538
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N[C@H]1C[C@H]2CN(C)CCN2C1
InChIInChI=1S/C15H25N5O/c1-10-14(11(2)18-17-10)7-15(21)16-12-6-13-9-19(3)4-5-20(13)8-12/h12-13H,4-9H2,1-3H3,(H,16,21)(H,17,18)/t12-,13-/m0/s1
InChIKeyNDPROGYYBLDZAS-STQMWFEESA-N
XLogP0.07
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 56757538) is N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1CC(=O)N[C@H]1C[C@H]2CN(C)CCN2C1.
What is the InChIKey of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is NDPROGYYBLDZAS-STQMWFEESA-N. The full InChI is InChI=1S/C15H25N5O/c1-10-14(11(2)18-17-10)7-15(21)16-12-6-13-9-19(3)4-5-20(13)8-12/h12-13H,4-9H2,1-3H3,(H,16,21)(H,17,18)/t12-,13-/m0/s1.
What are the key properties of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 291.40 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 56757538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).