5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine

C14H20N4 — CID 66012411

IUPAC5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1Nc1ccc(C)c(C)c1
InChIInChI=1S/C14H20N4/c1-5-18-14(13(15)11(4)17-18)16-12-7-6-9(2)10(3)8-12/h6-8,16H,5,15H2,1-4H3
InChIKeyVZJBTAQNYJDFRQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.15
Rot. Bonds3

About 5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine

5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine (PubChem CID 66012411) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
PubChem CID66012411
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1Nc1ccc(C)c(C)c1
InChIInChI=1S/C14H20N4/c1-5-18-14(13(15)11(4)17-18)16-12-7-6-9(2)10(3)8-12/h6-8,16H,5,15H2,1-4H3
InChIKeyVZJBTAQNYJDFRQ-UHFFFAOYSA-N
XLogP3.15
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine (CID 66012411) is 5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine is CCn1nc(C)c(N)c1Nc1ccc(C)c(C)c1.
What is the InChIKey of 5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The InChIKey is VZJBTAQNYJDFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-5-18-14(13(15)11(4)17-18)16-12-7-6-9(2)10(3)8-12/h6-8,16H,5,15H2,1-4H3.
What are the key properties of 5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine has a molecular weight of 244.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66012411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).