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

C9H16N2 — CID 18735016

IUPAC4,5-di(propan-2-yl)-1H-pyrazole
SMILESCC(C)c1cn[nH]c1C(C)C
InChIInChI=1S/C9H16N2/c1-6(2)8-5-10-11-9(8)7(3)4/h5-7H,1-4H3,(H,10,11)
InChIKeyQHIFNTUKXJIGGO-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.66
Rot. Bonds2

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

4,5-di(propan-2-yl)-1H-pyrazole (PubChem CID 18735016) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-1H-pyrazole
PubChem CID18735016
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4,5-di(propan-2-yl)-1H-pyrazole
SMILESCC(C)c1cn[nH]c1C(C)C
InChIInChI=1S/C9H16N2/c1-6(2)8-5-10-11-9(8)7(3)4/h5-7H,1-4H3,(H,10,11)
InChIKeyQHIFNTUKXJIGGO-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 4,5-di(propan-2-yl)-1H-pyrazole?
The IUPAC name of 4,5-di(propan-2-yl)-1H-pyrazole (CID 18735016) is 4,5-di(propan-2-yl)-1H-pyrazole.
What is the SMILES notation for 4,5-di(propan-2-yl)-1H-pyrazole?
The canonical SMILES for 4,5-di(propan-2-yl)-1H-pyrazole is CC(C)c1cn[nH]c1C(C)C.
What is the InChIKey of 4,5-di(propan-2-yl)-1H-pyrazole?
The InChIKey is QHIFNTUKXJIGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-6(2)8-5-10-11-9(8)7(3)4/h5-7H,1-4H3,(H,10,11).
What are the key properties of 4,5-di(propan-2-yl)-1H-pyrazole?
4,5-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 4,5-di(propan-2-yl)-1H-pyrazole is sourced from PubChem (CID 18735016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).