2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazole

C7H12N2 — CID 145062653

IUPAC2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazole
SMILESCN1C=C2CCCC2N1
InChIInChI=1S/C7H12N2/c1-9-5-6-3-2-4-7(6)8-9/h5,7-8H,2-4H2,1H3
InChIKeyHOGXKPFYNLITKG-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.87
Rot. Bonds

About 2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazole

2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazole (PubChem CID 145062653) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazole
PubChem CID145062653
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazole
SMILESCN1C=C2CCCC2N1
InChIInChI=1S/C7H12N2/c1-9-5-6-3-2-4-7(6)8-9/h5,7-8H,2-4H2,1H3
InChIKeyHOGXKPFYNLITKG-UHFFFAOYSA-N
XLogP0.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-Fluoroethyl)-2,4-dimethyl-1,5-dihydropyrazole
CID 123389407
2,4,5-Trimethyl-1,5-dihydropyrazole
CID 68377027
4-Ethyl-2,5-dimethyl-1,5-dihydropyrazole
CID 123442562
2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazol-3-amine
CID 142910494
3-Ethyl-2,4-dimethyl-1,3-dihydropyrazole
CID 146392644
3-methyl-4,5,6,7-tetrahydro-3aH-pyrrolo[1,2-b]pyrazol-7-ium-1-ide
CID 163531393

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazole?
The IUPAC name of 2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazole (CID 145062653) is 2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazole.
What is the SMILES notation for 2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazole?
The canonical SMILES for 2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazole is CN1C=C2CCCC2N1.
What is the InChIKey of 2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazole?
The InChIKey is HOGXKPFYNLITKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-9-5-6-3-2-4-7(6)8-9/h5,7-8H,2-4H2,1H3.
What are the key properties of 2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazole?
2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazole has a molecular weight of 124.19 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazole is sourced from PubChem (CID 145062653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).