(3aR,6aR)-5-[2-(dimethylamino)ethyl]-2-(2-methylpyrazole-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

C15H23N5O2 — CID 131681642

IUPAC(3aR,6aR)-5-[2-(dimethylamino)ethyl]-2-(2-methylpyrazole-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESCN(C)CCN1C[C@@H]2CN(C(=O)c3ccnn3C)C[C@@H]2C1=O
InChIInChI=1S/C15H23N5O2/c1-17(2)6-7-19-8-11-9-20(10-12(11)14(19)21)15(22)13-4-5-16-18(13)3/h4-5,11-12H,6-10H2,1-3H3/t11-,12+/m1/s1
InChIKeyZVXGATJUBJCUFX-NEPJUHHUSA-N
MW305.38 g/mol
LogP-0.49
Rot. Bonds4

About (3aR,6aR)-5-[2-(dimethylamino)ethyl]-2-(2-methylpyrazole-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

(3aR,6aR)-5-[2-(dimethylamino)ethyl]-2-(2-methylpyrazole-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (PubChem CID 131681642) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3aR,6aR)-5-[2-(dimethylamino)ethyl]-2-(2-methylpyrazole-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.

Molecular Properties

Compound Name(3aR,6aR)-5-[2-(dimethylamino)ethyl]-2-(2-methylpyrazole-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
PubChem CID131681642
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(3aR,6aR)-5-[2-(dimethylamino)ethyl]-2-(2-methylpyrazole-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESCN(C)CCN1C[C@@H]2CN(C(=O)c3ccnn3C)C[C@@H]2C1=O
InChIInChI=1S/C15H23N5O2/c1-17(2)6-7-19-8-11-9-20(10-12(11)14(19)21)15(22)13-4-5-16-18(13)3/h4-5,11-12H,6-10H2,1-3H3/t11-,12+/m1/s1
InChIKeyZVXGATJUBJCUFX-NEPJUHHUSA-N
XLogP-0.49
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-[2-(dimethylamino)ethyl]-2-(2-methylpyrazole-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The IUPAC name of (3aR,6aR)-5-[2-(dimethylamino)ethyl]-2-(2-methylpyrazole-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (CID 131681642) is (3aR,6aR)-5-[2-(dimethylamino)ethyl]-2-(2-methylpyrazole-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.
What is the SMILES notation for (3aR,6aR)-5-[2-(dimethylamino)ethyl]-2-(2-methylpyrazole-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The canonical SMILES for (3aR,6aR)-5-[2-(dimethylamino)ethyl]-2-(2-methylpyrazole-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is CN(C)CCN1C[C@@H]2CN(C(=O)c3ccnn3C)C[C@@H]2C1=O.
What is the InChIKey of (3aR,6aR)-5-[2-(dimethylamino)ethyl]-2-(2-methylpyrazole-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The InChIKey is ZVXGATJUBJCUFX-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-17(2)6-7-19-8-11-9-20(10-12(11)14(19)21)15(22)13-4-5-16-18(13)3/h4-5,11-12H,6-10H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of (3aR,6aR)-5-[2-(dimethylamino)ethyl]-2-(2-methylpyrazole-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
(3aR,6aR)-5-[2-(dimethylamino)ethyl]-2-(2-methylpyrazole-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one has a molecular weight of 305.38 g/mol, XLogP of -0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-[2-(dimethylamino)ethyl]-2-(2-methylpyrazole-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is sourced from PubChem (CID 131681642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).