3,5-dimethyl-4-(2-methylpropyl)-2,3-dihydro-1H-pyrazole

C9H18N2 — CID 176949548

IUPAC3,5-dimethyl-4-(2-methylpropyl)-2,3-dihydro-1H-pyrazole
SMILESCC1=C(CC(C)C)C(C)NN1
InChIInChI=1S/C9H18N2/c1-6(2)5-9-7(3)10-11-8(9)4/h6-7,10-11H,5H2,1-4H3
InChIKeyCUBCHCFIZOZOEO-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.80
Rot. Bonds2

About 3,5-dimethyl-4-(2-methylpropyl)-2,3-dihydro-1H-pyrazole

3,5-dimethyl-4-(2-methylpropyl)-2,3-dihydro-1H-pyrazole (PubChem CID 176949548) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3,5-dimethyl-4-(2-methylpropyl)-2,3-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(2-methylpropyl)-2,3-dihydro-1H-pyrazole
PubChem CID176949548
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3,5-dimethyl-4-(2-methylpropyl)-2,3-dihydro-1H-pyrazole
SMILESCC1=C(CC(C)C)C(C)NN1
InChIInChI=1S/C9H18N2/c1-6(2)5-9-7(3)10-11-8(9)4/h6-7,10-11H,5H2,1-4H3
InChIKeyCUBCHCFIZOZOEO-UHFFFAOYSA-N
XLogP1.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(2-methylpropyl)-2,3-dihydro-1H-pyrazole?
The IUPAC name of 3,5-dimethyl-4-(2-methylpropyl)-2,3-dihydro-1H-pyrazole (CID 176949548) is 3,5-dimethyl-4-(2-methylpropyl)-2,3-dihydro-1H-pyrazole.
What is the SMILES notation for 3,5-dimethyl-4-(2-methylpropyl)-2,3-dihydro-1H-pyrazole?
The canonical SMILES for 3,5-dimethyl-4-(2-methylpropyl)-2,3-dihydro-1H-pyrazole is CC1=C(CC(C)C)C(C)NN1.
What is the InChIKey of 3,5-dimethyl-4-(2-methylpropyl)-2,3-dihydro-1H-pyrazole?
The InChIKey is CUBCHCFIZOZOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-6(2)5-9-7(3)10-11-8(9)4/h6-7,10-11H,5H2,1-4H3.
What are the key properties of 3,5-dimethyl-4-(2-methylpropyl)-2,3-dihydro-1H-pyrazole?
3,5-dimethyl-4-(2-methylpropyl)-2,3-dihydro-1H-pyrazole has a molecular weight of 154.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(2-methylpropyl)-2,3-dihydro-1H-pyrazole is sourced from PubChem (CID 176949548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).