3,5-di(propan-2-yl)-1H-pyrazole

C9H16N2 — CID 5255229

IUPAC3,5-di(propan-2-yl)-1H-pyrazole
SMILESCC(C)c1cc(C(C)C)[nH]n1
InChIInChI=1S/C9H16N2/c1-6(2)8-5-9(7(3)4)11-10-8/h5-7H,1-4H3,(H,10,11)
InChIKeyPJSJVTZSFIRYIZ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.66
Rot. Bonds2

About 3,5-di(propan-2-yl)-1H-pyrazole

3,5-di(propan-2-yl)-1H-pyrazole (PubChem CID 5255229) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-1H-pyrazole
PubChem CID5255229
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3,5-di(propan-2-yl)-1H-pyrazole
SMILESCC(C)c1cc(C(C)C)[nH]n1
InChIInChI=1S/C9H16N2/c1-6(2)8-5-9(7(3)4)11-10-8/h5-7H,1-4H3,(H,10,11)
InChIKeyPJSJVTZSFIRYIZ-UHFFFAOYSA-N
XLogP2.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-1H-pyrazole?
The IUPAC name of 3,5-di(propan-2-yl)-1H-pyrazole (CID 5255229) is 3,5-di(propan-2-yl)-1H-pyrazole.
What is the SMILES notation for 3,5-di(propan-2-yl)-1H-pyrazole?
The canonical SMILES for 3,5-di(propan-2-yl)-1H-pyrazole is CC(C)c1cc(C(C)C)[nH]n1.
What is the InChIKey of 3,5-di(propan-2-yl)-1H-pyrazole?
The InChIKey is PJSJVTZSFIRYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-6(2)8-5-9(7(3)4)11-10-8/h5-7H,1-4H3,(H,10,11).
What are the key properties of 3,5-di(propan-2-yl)-1H-pyrazole?
3,5-di(propan-2-yl)-1H-pyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-1H-pyrazole is sourced from PubChem (CID 5255229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).