4,5-di(propan-2-yl)-1H-pyrazole;methane;2-methylpropane

C14H30N2 — CID 162271243

IUPAC4,5-di(propan-2-yl)-1H-pyrazole;methane;2-methylpropane
SMILESC.CC(C)C.CC(C)c1cn[nH]c1C(C)C
InChIInChI=1S/C9H16N2.C4H10.CH4/c1-6(2)8-5-10-11-9(8)7(3)4;1-4(2)3;/h5-7H,1-4H3,(H,10,11);4H,1-3H3;1H4
InChIKeyJAJZCVGIHPBPSF-UHFFFAOYSA-N
MW226.41 g/mol
LogP4.95
Rot. Bonds2

About 4,5-di(propan-2-yl)-1H-pyrazole;methane;2-methylpropane

4,5-di(propan-2-yl)-1H-pyrazole;methane;2-methylpropane (PubChem CID 162271243) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-1H-pyrazole;methane;2-methylpropane.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-1H-pyrazole;methane;2-methylpropane
PubChem CID162271243
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name4,5-di(propan-2-yl)-1H-pyrazole;methane;2-methylpropane
SMILESC.CC(C)C.CC(C)c1cn[nH]c1C(C)C
InChIInChI=1S/C9H16N2.C4H10.CH4/c1-6(2)8-5-10-11-9(8)7(3)4;1-4(2)3;/h5-7H,1-4H3,(H,10,11);4H,1-3H3;1H4
InChIKeyJAJZCVGIHPBPSF-UHFFFAOYSA-N
XLogP4.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,5-di(propan-2-yl)-1H-pyrazole;methane;2-methylpropane 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 4,5-di(propan-2-yl)-1H-pyrazole;methane;2-methylpropane?
The IUPAC name of 4,5-di(propan-2-yl)-1H-pyrazole;methane;2-methylpropane (CID 162271243) is 4,5-di(propan-2-yl)-1H-pyrazole;methane;2-methylpropane.
What is the SMILES notation for 4,5-di(propan-2-yl)-1H-pyrazole;methane;2-methylpropane?
The canonical SMILES for 4,5-di(propan-2-yl)-1H-pyrazole;methane;2-methylpropane is C.CC(C)C.CC(C)c1cn[nH]c1C(C)C.
What is the InChIKey of 4,5-di(propan-2-yl)-1H-pyrazole;methane;2-methylpropane?
The InChIKey is JAJZCVGIHPBPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C4H10.CH4/c1-6(2)8-5-10-11-9(8)7(3)4;1-4(2)3;/h5-7H,1-4H3,(H,10,11);4H,1-3H3;1H4.
What are the key properties of 4,5-di(propan-2-yl)-1H-pyrazole;methane;2-methylpropane?
4,5-di(propan-2-yl)-1H-pyrazole;methane;2-methylpropane has a molecular weight of 226.41 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-1H-pyrazole;methane;2-methylpropane is sourced from PubChem (CID 162271243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).