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

C9H16N2 — CID 58574928

IUPAC3,5-di(propan-2-yl)-3H-pyrazole
SMILESCC(C)C1=CC(C(C)C)N=N1
InChIInChI=1S/C9H16N2/c1-6(2)8-5-9(7(3)4)11-10-8/h5-8H,1-4H3
InChIKeyHDZNGPOCAYUQQK-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.02
Rot. Bonds2

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

3,5-di(propan-2-yl)-3H-pyrazole (PubChem CID 58574928) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-3H-pyrazole.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-3H-pyrazole
PubChem CID58574928
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3,5-di(propan-2-yl)-3H-pyrazole
SMILESCC(C)C1=CC(C(C)C)N=N1
InChIInChI=1S/C9H16N2/c1-6(2)8-5-9(7(3)4)11-10-8/h5-8H,1-4H3
InChIKeyHDZNGPOCAYUQQK-UHFFFAOYSA-N
XLogP3.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-3H-pyrazole?
The IUPAC name of 3,5-di(propan-2-yl)-3H-pyrazole (CID 58574928) is 3,5-di(propan-2-yl)-3H-pyrazole.
What is the SMILES notation for 3,5-di(propan-2-yl)-3H-pyrazole?
The canonical SMILES for 3,5-di(propan-2-yl)-3H-pyrazole is CC(C)C1=CC(C(C)C)N=N1.
What is the InChIKey of 3,5-di(propan-2-yl)-3H-pyrazole?
The InChIKey is HDZNGPOCAYUQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-6(2)8-5-9(7(3)4)11-10-8/h5-8H,1-4H3.
What are the key properties of 3,5-di(propan-2-yl)-3H-pyrazole?
3,5-di(propan-2-yl)-3H-pyrazole has a molecular weight of 152.24 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-3H-pyrazole is sourced from PubChem (CID 58574928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).