3-methyl-4,5,6,7-tetrahydro-3aH-pyrrolo[1,2-b]pyrazol-7-ium-1-ide

C7H12N2 — CID 163531393

IUPAC3-methyl-4,5,6,7-tetrahydro-3aH-pyrrolo[1,2-b]pyrazol-7-ium-1-ide
SMILESCC1=C[N-][NH+]2CCCC12
InChIInChI=1S/C7H12N2/c1-6-5-8-9-4-2-3-7(6)9/h5,7,9H,2-4H2,1H3
InChIKeyDTHJMEGDMINRQI-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.24
Rot. Bonds

About 3-methyl-4,5,6,7-tetrahydro-3aH-pyrrolo[1,2-b]pyrazol-7-ium-1-ide

3-methyl-4,5,6,7-tetrahydro-3aH-pyrrolo[1,2-b]pyrazol-7-ium-1-ide (PubChem CID 163531393) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-methyl-4,5,6,7-tetrahydro-3aH-pyrrolo[1,2-b]pyrazol-7-ium-1-ide.

Molecular Properties

Compound Name3-methyl-4,5,6,7-tetrahydro-3aH-pyrrolo[1,2-b]pyrazol-7-ium-1-ide
PubChem CID163531393
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3-methyl-4,5,6,7-tetrahydro-3aH-pyrrolo[1,2-b]pyrazol-7-ium-1-ide
SMILESCC1=C[N-][NH+]2CCCC12
InChIInChI=1S/C7H12N2/c1-6-5-8-9-4-2-3-7(6)9/h5,7,9H,2-4H2,1H3
InChIKeyDTHJMEGDMINRQI-UHFFFAOYSA-N
XLogP0.24
TPSA18.54 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazole
CID 145062653
(2-Ethylpyrrolidin-3-ylidene)methanamine
CID 174676779
(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine
CID 143401669

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5,6,7-tetrahydro-3aH-pyrrolo[1,2-b]pyrazol-7-ium-1-ide?
The IUPAC name of 3-methyl-4,5,6,7-tetrahydro-3aH-pyrrolo[1,2-b]pyrazol-7-ium-1-ide (CID 163531393) is 3-methyl-4,5,6,7-tetrahydro-3aH-pyrrolo[1,2-b]pyrazol-7-ium-1-ide.
What is the SMILES notation for 3-methyl-4,5,6,7-tetrahydro-3aH-pyrrolo[1,2-b]pyrazol-7-ium-1-ide?
The canonical SMILES for 3-methyl-4,5,6,7-tetrahydro-3aH-pyrrolo[1,2-b]pyrazol-7-ium-1-ide is CC1=C[N-][NH+]2CCCC12.
What is the InChIKey of 3-methyl-4,5,6,7-tetrahydro-3aH-pyrrolo[1,2-b]pyrazol-7-ium-1-ide?
The InChIKey is DTHJMEGDMINRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-5-8-9-4-2-3-7(6)9/h5,7,9H,2-4H2,1H3.
What are the key properties of 3-methyl-4,5,6,7-tetrahydro-3aH-pyrrolo[1,2-b]pyrazol-7-ium-1-ide?
3-methyl-4,5,6,7-tetrahydro-3aH-pyrrolo[1,2-b]pyrazol-7-ium-1-ide has a molecular weight of 124.19 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5,6,7-tetrahydro-3aH-pyrrolo[1,2-b]pyrazol-7-ium-1-ide is sourced from PubChem (CID 163531393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).