4,5-dimethyl-1H-pyrazole;ethane;3,4,5-trimethyl-1,2-oxazole

C13H23N3O — CID 144607556

IUPAC4,5-dimethyl-1H-pyrazole;ethane;3,4,5-trimethyl-1,2-oxazole
SMILESCC.Cc1cn[nH]c1C.Cc1noc(C)c1C
InChIInChI=1S/C6H9NO.C5H8N2.C2H6/c1-4-5(2)7-8-6(4)3;1-4-3-6-7-5(4)2;1-2/h1-3H3;3H,1-2H3,(H,6,7);1-2H3
InChIKeyWQPAZPLNRZFZFY-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.65
Rot. Bonds

About 4,5-dimethyl-1H-pyrazole;ethane;3,4,5-trimethyl-1,2-oxazole

4,5-dimethyl-1H-pyrazole;ethane;3,4,5-trimethyl-1,2-oxazole (PubChem CID 144607556) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4,5-dimethyl-1H-pyrazole;ethane;3,4,5-trimethyl-1,2-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-1H-pyrazole;ethane;3,4,5-trimethyl-1,2-oxazole
PubChem CID144607556
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4,5-dimethyl-1H-pyrazole;ethane;3,4,5-trimethyl-1,2-oxazole
SMILESCC.Cc1cn[nH]c1C.Cc1noc(C)c1C
InChIInChI=1S/C6H9NO.C5H8N2.C2H6/c1-4-5(2)7-8-6(4)3;1-4-3-6-7-5(4)2;1-2/h1-3H3;3H,1-2H3,(H,6,7);1-2H3
InChIKeyWQPAZPLNRZFZFY-UHFFFAOYSA-N
XLogP3.65
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-pyrazole;ethane;3,4,5-trimethyl-1,2-oxazole?
The IUPAC name of 4,5-dimethyl-1H-pyrazole;ethane;3,4,5-trimethyl-1,2-oxazole (CID 144607556) is 4,5-dimethyl-1H-pyrazole;ethane;3,4,5-trimethyl-1,2-oxazole.
What is the SMILES notation for 4,5-dimethyl-1H-pyrazole;ethane;3,4,5-trimethyl-1,2-oxazole?
The canonical SMILES for 4,5-dimethyl-1H-pyrazole;ethane;3,4,5-trimethyl-1,2-oxazole is CC.Cc1cn[nH]c1C.Cc1noc(C)c1C.
What is the InChIKey of 4,5-dimethyl-1H-pyrazole;ethane;3,4,5-trimethyl-1,2-oxazole?
The InChIKey is WQPAZPLNRZFZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C5H8N2.C2H6/c1-4-5(2)7-8-6(4)3;1-4-3-6-7-5(4)2;1-2/h1-3H3;3H,1-2H3,(H,6,7);1-2H3.
What are the key properties of 4,5-dimethyl-1H-pyrazole;ethane;3,4,5-trimethyl-1,2-oxazole?
4,5-dimethyl-1H-pyrazole;ethane;3,4,5-trimethyl-1,2-oxazole has a molecular weight of 237.35 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1H-pyrazole;ethane;3,4,5-trimethyl-1,2-oxazole is sourced from PubChem (CID 144607556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).