5-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C12H19N5O2 — CID 66209637

IUPAC5-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCc1nn(C)c(N2CC3CNCC3C2C)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O2/c1-7-11(17(18)19)12(15(3)14-7)16-6-9-4-13-5-10(9)8(16)2/h8-10,13H,4-6H2,1-3H3
InChIKeyVMPFZRLVTQCFQY-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.68
Rot. Bonds2

About 5-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66209637) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66209637
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name5-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCc1nn(C)c(N2CC3CNCC3C2C)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O2/c1-7-11(17(18)19)12(15(3)14-7)16-6-9-4-13-5-10(9)8(16)2/h8-10,13H,4-6H2,1-3H3
InChIKeyVMPFZRLVTQCFQY-UHFFFAOYSA-N
XLogP0.68
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66209637) is 5-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is Cc1nn(C)c(N2CC3CNCC3C2C)c1[N+](=O)[O-].
What is the InChIKey of 5-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is VMPFZRLVTQCFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-7-11(17(18)19)12(15(3)14-7)16-6-9-4-13-5-10(9)8(16)2/h8-10,13H,4-6H2,1-3H3.
What are the key properties of 5-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 265.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66209637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).