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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Related Compounds

5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027995
5-N-(3-bromo-4-methoxyphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012288
1-ethyl-3-methyl-5-N-(4-propylphenyl)pyrazole-4,5-diamine
CID 66013596
5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66028825
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]benzonitrile
CID 66012800
1-ethyl-3-methyl-5-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4,5-diamine
CID 66011298
2-[4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]phenyl]acetonitrile
CID 66013634
1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine
CID 66012072
5-N-(3,5-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029347
4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-3-methoxybenzonitrile
CID 104847922
5-N-[2-chloro-4-(trifluoromethyl)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66010914
2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-5-fluorobenzonitrile
CID 82014680

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).