1,3,4,5-tetramethylpyrazole

C7H12N2 — CID 579642

IUPAC1,3,4,5-tetramethylpyrazole
SMILESCc1nn(C)c(C)c1C
InChIInChI=1S/C7H12N2/c1-5-6(2)8-9(4)7(5)3/h1-4H3
InChIKeyDUAZFYUNWBILMU-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.35
Rot. Bonds

About 1,3,4,5-tetramethylpyrazole

1,3,4,5-tetramethylpyrazole (PubChem CID 579642) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1,3,4,5-tetramethylpyrazole.

Molecular Properties

Compound Name1,3,4,5-tetramethylpyrazole
PubChem CID579642
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1,3,4,5-tetramethylpyrazole
SMILESCc1nn(C)c(C)c1C
InChIInChI=1S/C7H12N2/c1-5-6(2)8-9(4)7(5)3/h1-4H3
InChIKeyDUAZFYUNWBILMU-UHFFFAOYSA-N
XLogP1.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetramethylpyrazole?
The IUPAC name of 1,3,4,5-tetramethylpyrazole (CID 579642) is 1,3,4,5-tetramethylpyrazole.
What is the SMILES notation for 1,3,4,5-tetramethylpyrazole?
The canonical SMILES for 1,3,4,5-tetramethylpyrazole is Cc1nn(C)c(C)c1C.
What is the InChIKey of 1,3,4,5-tetramethylpyrazole?
The InChIKey is DUAZFYUNWBILMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-6(2)8-9(4)7(5)3/h1-4H3.
What are the key properties of 1,3,4,5-tetramethylpyrazole?
1,3,4,5-tetramethylpyrazole has a molecular weight of 124.19 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetramethylpyrazole is sourced from PubChem (CID 579642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).