5-methyl-3-octan-2-yl-2,3-dihydro-1H-pyrazole

C12H24N2 — CID 139444204

IUPAC5-methyl-3-octan-2-yl-2,3-dihydro-1H-pyrazole
SMILESCCCCCCC(C)C1C=C(C)NN1
InChIInChI=1S/C12H24N2/c1-4-5-6-7-8-10(2)12-9-11(3)13-14-12/h9-10,12-14H,4-8H2,1-3H3
InChIKeyGTSWCNPJDZANKY-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.97
Rot. Bonds6

About 5-methyl-3-octan-2-yl-2,3-dihydro-1H-pyrazole

5-methyl-3-octan-2-yl-2,3-dihydro-1H-pyrazole (PubChem CID 139444204) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 5-methyl-3-octan-2-yl-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-3-octan-2-yl-2,3-dihydro-1H-pyrazole
PubChem CID139444204
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name5-methyl-3-octan-2-yl-2,3-dihydro-1H-pyrazole
SMILESCCCCCCC(C)C1C=C(C)NN1
InChIInChI=1S/C12H24N2/c1-4-5-6-7-8-10(2)12-9-11(3)13-14-12/h9-10,12-14H,4-8H2,1-3H3
InChIKeyGTSWCNPJDZANKY-UHFFFAOYSA-N
XLogP2.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-octan-2-yl-2,3-dihydro-1H-pyrazole?
The IUPAC name of 5-methyl-3-octan-2-yl-2,3-dihydro-1H-pyrazole (CID 139444204) is 5-methyl-3-octan-2-yl-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 5-methyl-3-octan-2-yl-2,3-dihydro-1H-pyrazole?
The canonical SMILES for 5-methyl-3-octan-2-yl-2,3-dihydro-1H-pyrazole is CCCCCCC(C)C1C=C(C)NN1.
What is the InChIKey of 5-methyl-3-octan-2-yl-2,3-dihydro-1H-pyrazole?
The InChIKey is GTSWCNPJDZANKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-5-6-7-8-10(2)12-9-11(3)13-14-12/h9-10,12-14H,4-8H2,1-3H3.
What are the key properties of 5-methyl-3-octan-2-yl-2,3-dihydro-1H-pyrazole?
5-methyl-3-octan-2-yl-2,3-dihydro-1H-pyrazole has a molecular weight of 196.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-octan-2-yl-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 139444204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).