1,3,5-trimethylpyrazole

C6H10N2 — CID 14081

IUPAC1,3,5-trimethylpyrazole
SMILESCc1cc(C)n(C)n1
InChIInChI=1S/C6H10N2/c1-5-4-6(2)8(3)7-5/h4H,1-3H3
InChIKeyHNOQAFMOBRWDKQ-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.04
Rot. Bonds

About 1,3,5-trimethylpyrazole

1,3,5-trimethylpyrazole (PubChem CID 14081) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name1,3,5-trimethylpyrazole
PubChem CID14081
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name1,3,5-trimethylpyrazole
SMILESCc1cc(C)n(C)n1
InChIInChI=1S/C6H10N2/c1-5-4-6(2)8(3)7-5/h4H,1-3H3
InChIKeyHNOQAFMOBRWDKQ-UHFFFAOYSA-N
XLogP1.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethylpyrazole?
The IUPAC name of 1,3,5-trimethylpyrazole (CID 14081) is 1,3,5-trimethylpyrazole.
What is the SMILES notation for 1,3,5-trimethylpyrazole?
The canonical SMILES for 1,3,5-trimethylpyrazole is Cc1cc(C)n(C)n1.
What is the InChIKey of 1,3,5-trimethylpyrazole?
The InChIKey is HNOQAFMOBRWDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-5-4-6(2)8(3)7-5/h4H,1-3H3.
What are the key properties of 1,3,5-trimethylpyrazole?
1,3,5-trimethylpyrazole has a molecular weight of 110.16 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethylpyrazole is sourced from PubChem (CID 14081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).