3,5-dimethyl-3H-pyrazole

C5H8N2 — CID 15412128

IUPAC3,5-dimethyl-3H-pyrazole
SMILESCC1=CC(C)N=N1
InChIInChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3-4H,1-2H3
InChIKeyFHYYZLIZTSJHLL-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.74
Rot. Bonds

About 3,5-dimethyl-3H-pyrazole

3,5-dimethyl-3H-pyrazole (PubChem CID 15412128) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 3,5-dimethyl-3H-pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-3H-pyrazole
PubChem CID15412128
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name3,5-dimethyl-3H-pyrazole
SMILESCC1=CC(C)N=N1
InChIInChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3-4H,1-2H3
InChIKeyFHYYZLIZTSJHLL-UHFFFAOYSA-N
XLogP1.74
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-3H-pyrazole?
The IUPAC name of 3,5-dimethyl-3H-pyrazole (CID 15412128) is 3,5-dimethyl-3H-pyrazole.
What is the SMILES notation for 3,5-dimethyl-3H-pyrazole?
The canonical SMILES for 3,5-dimethyl-3H-pyrazole is CC1=CC(C)N=N1.
What is the InChIKey of 3,5-dimethyl-3H-pyrazole?
The InChIKey is FHYYZLIZTSJHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3-4H,1-2H3.
What are the key properties of 3,5-dimethyl-3H-pyrazole?
3,5-dimethyl-3H-pyrazole has a molecular weight of 96.13 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-3H-pyrazole is sourced from PubChem (CID 15412128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).