1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine

C13H26N4 — CID 113287312

IUPAC1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCCCCC(C)C
InChIInChI=1S/C13H26N4/c1-5-17-13(12(14)11(4)16-17)15-9-7-6-8-10(2)3/h10,15H,5-9,14H2,1-4H3
InChIKeyPCJSGWWCKHEYSM-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.03
Rot. Bonds7

About 1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine

1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine (PubChem CID 113287312) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine
PubChem CID113287312
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCCCCC(C)C
InChIInChI=1S/C13H26N4/c1-5-17-13(12(14)11(4)16-17)15-9-7-6-8-10(2)3/h10,15H,5-9,14H2,1-4H3
InChIKeyPCJSGWWCKHEYSM-UHFFFAOYSA-N
XLogP3.03
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine
CID 66012859
1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine
CID 66011030
1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine
CID 66011661
5-N-(2-ethoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012621
5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012649
5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 115405464
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-N-butan-2-ylpropanamide
CID 66012063
1-ethyl-3-methyl-5-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4,5-diamine
CID 106426553
5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011257
1-ethyl-3-methyl-5-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-4,5-diamine
CID 66012088
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-methylhexan-1-amine
CID 113287461
1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66012005

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine (CID 113287312) is 1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine is CCn1nc(C)c(N)c1NCCCCC(C)C.
What is the InChIKey of 1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine?
The InChIKey is PCJSGWWCKHEYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-5-17-13(12(14)11(4)16-17)15-9-7-6-8-10(2)3/h10,15H,5-9,14H2,1-4H3.
What are the key properties of 1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine?
1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine has a molecular weight of 238.38 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine is sourced from PubChem (CID 113287312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).