1,3-dimethylpyrazole;1,4-dimethylpyrazole

C10H16N4 — CID 160655475

IUPAC1,3-dimethylpyrazole;1,4-dimethylpyrazole
SMILESCc1ccn(C)n1.Cc1cnn(C)c1
InChIInChI=1S/2C5H8N2/c1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5/h2*3-4H,1-2H3
InChIKeyRKZGMFUDGQBKEY-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.46
Rot. Bonds

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

1,3-dimethylpyrazole;1,4-dimethylpyrazole (PubChem CID 160655475) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 1,3-dimethylpyrazole;1,4-dimethylpyrazole.

Molecular Properties

Compound Name1,3-dimethylpyrazole;1,4-dimethylpyrazole
PubChem CID160655475
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name1,3-dimethylpyrazole;1,4-dimethylpyrazole
SMILESCc1ccn(C)n1.Cc1cnn(C)c1
InChIInChI=1S/2C5H8N2/c1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5/h2*3-4H,1-2H3
InChIKeyRKZGMFUDGQBKEY-UHFFFAOYSA-N
XLogP1.46
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-dimethylpyrazole;1,4-dimethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazole;1,4-dimethylpyrazole?
The IUPAC name of 1,3-dimethylpyrazole;1,4-dimethylpyrazole (CID 160655475) is 1,3-dimethylpyrazole;1,4-dimethylpyrazole.
What is the SMILES notation for 1,3-dimethylpyrazole;1,4-dimethylpyrazole?
The canonical SMILES for 1,3-dimethylpyrazole;1,4-dimethylpyrazole is Cc1ccn(C)n1.Cc1cnn(C)c1.
What is the InChIKey of 1,3-dimethylpyrazole;1,4-dimethylpyrazole?
The InChIKey is RKZGMFUDGQBKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8N2/c1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5/h2*3-4H,1-2H3.
What are the key properties of 1,3-dimethylpyrazole;1,4-dimethylpyrazole?
1,3-dimethylpyrazole;1,4-dimethylpyrazole has a molecular weight of 192.27 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrazole;1,4-dimethylpyrazole is sourced from PubChem (CID 160655475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).