1,4-dimethylpyrazole;1,3,4-trimethylpyrazole

C11H18N4 — CID 162077924

IUPAC1,4-dimethylpyrazole;1,3,4-trimethylpyrazole
SMILESCc1cn(C)nc1C.Cc1cnn(C)c1
InChIInChI=1S/C6H10N2.C5H8N2/c1-5-4-8(3)7-6(5)2;1-5-3-6-7(2)4-5/h4H,1-3H3;3-4H,1-2H3
InChIKeyZBYIRNNFWNJBRM-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.77
Rot. Bonds

About 1,4-dimethylpyrazole;1,3,4-trimethylpyrazole

1,4-dimethylpyrazole;1,3,4-trimethylpyrazole (PubChem CID 162077924) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1,4-dimethylpyrazole;1,3,4-trimethylpyrazole.

Molecular Properties

Compound Name1,4-dimethylpyrazole;1,3,4-trimethylpyrazole
PubChem CID162077924
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1,4-dimethylpyrazole;1,3,4-trimethylpyrazole
SMILESCc1cn(C)nc1C.Cc1cnn(C)c1
InChIInChI=1S/C6H10N2.C5H8N2/c1-5-4-8(3)7-6(5)2;1-5-3-6-7(2)4-5/h4H,1-3H3;3-4H,1-2H3
InChIKeyZBYIRNNFWNJBRM-UHFFFAOYSA-N
XLogP1.77
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpyrazole;1,3,4-trimethylpyrazole?
The IUPAC name of 1,4-dimethylpyrazole;1,3,4-trimethylpyrazole (CID 162077924) is 1,4-dimethylpyrazole;1,3,4-trimethylpyrazole.
What is the SMILES notation for 1,4-dimethylpyrazole;1,3,4-trimethylpyrazole?
The canonical SMILES for 1,4-dimethylpyrazole;1,3,4-trimethylpyrazole is Cc1cn(C)nc1C.Cc1cnn(C)c1.
What is the InChIKey of 1,4-dimethylpyrazole;1,3,4-trimethylpyrazole?
The InChIKey is ZBYIRNNFWNJBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C5H8N2/c1-5-4-8(3)7-6(5)2;1-5-3-6-7(2)4-5/h4H,1-3H3;3-4H,1-2H3.
What are the key properties of 1,4-dimethylpyrazole;1,3,4-trimethylpyrazole?
1,4-dimethylpyrazole;1,3,4-trimethylpyrazole has a molecular weight of 206.29 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpyrazole;1,3,4-trimethylpyrazole is sourced from PubChem (CID 162077924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).