5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine

C15H28N4O — CID 66017735

IUPAC5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCCOC2CCCCC2)c1N
InChIInChI=1S/C15H28N4O/c1-3-7-13-14(16)15(19(2)18-13)17-10-11-20-12-8-5-4-6-9-12/h12,17H,3-11,16H2,1-2H3
InChIKeyFMHBPSXFIZAUFN-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.72
Rot. Bonds7

About 5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine

5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine (PubChem CID 66017735) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine
PubChem CID66017735
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCCOC2CCCCC2)c1N
InChIInChI=1S/C15H28N4O/c1-3-7-13-14(16)15(19(2)18-13)17-10-11-20-12-8-5-4-6-9-12/h12,17H,3-11,16H2,1-2H3
InChIKeyFMHBPSXFIZAUFN-UHFFFAOYSA-N
XLogP2.72
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-N-(2-butoxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019463
5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017100
5-N-(3-methoxypropyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019810
1-methyl-5-N-(4-methylpentyl)-3-propylpyrazole-4,5-diamine
CID 66019860
5-cyclohexyloxy-1-methyl-3-propylpyrazol-4-amine
CID 66018723
5-N-(cyclohexylmethyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66015985
5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 115405451
5-N-[2-(2-methoxyphenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 106259807
3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol
CID 66018131
5-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pyrrolidin-2-one
CID 66017736
1-methyl-3-propyl-5-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4,5-diamine
CID 79353358
1-methyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine
CID 66019813

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine (CID 66017735) is 5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(NCCOC2CCCCC2)c1N.
What is the InChIKey of 5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine?
The InChIKey is FMHBPSXFIZAUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-3-7-13-14(16)15(19(2)18-13)17-10-11-20-12-8-5-4-6-9-12/h12,17H,3-11,16H2,1-2H3.
What are the key properties of 5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine?
5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine has a molecular weight of 280.42 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66017735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).