5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine

C₁₆H₂₄N₄ — CID 66017913

About 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine

5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine (PubChem CID 66017913) has the molecular formula C₁₆H₂₄N₄ and a molecular weight of 272.40 g/mol. Its IUPAC name is 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine.

Molecular Properties

• Compound Name: 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
• PubChem CID: 66017913
• Molecular Formula: C₁₆H₂₄N₄
• Molecular Weight: 272.40 g/mol
• Exact Mass: 272.20
• IUPAC Name: 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
• SMILES: CCCc1nn(C)c(N(C)c2ccc(CC)cc2)c1N
• InChI: InChI=1S/C16H24N4/c1-5-7-14-15(17)16(20(4)18-14)19(3)13-10-8-12(6-2)9-11-13/h8-11H,5-7,17H2,1-4H3
• InChIKey: XYGWBEKZAKXKED-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 47.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	272.40
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine?

The IUPAC name of 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine (CID 66017913) is 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine.

What is the SMILES notation for 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine?

The canonical SMILES for 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(N(C)c2ccc(CC)cc2)c1N.

What is the InChIKey of 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine?

The InChIKey is XYGWBEKZAKXKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-5-7-14-15(17)16(20(4)18-14)19(3)13-10-8-12(6-2)9-11-13/h8-11H,5-7,17H2,1-4H3.

What are the key properties of 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine?

5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine has a molecular weight of 272.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66017913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66017913 — identifiers, structure, computed properties (public domain)

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