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

C11H22N4O — CID 66019810

IUPAC5-N-(3-methoxypropyl)-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCCCOC)c1N
InChIInChI=1S/C11H22N4O/c1-4-6-9-10(12)11(15(2)14-9)13-7-5-8-16-3/h13H,4-8,12H2,1-3H3
InChIKeyOZVKAUMLCXPHPC-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.40
Rot. Bonds7

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

5-N-(3-methoxypropyl)-1-methyl-3-propylpyrazole-4,5-diamine (PubChem CID 66019810) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-N-(3-methoxypropyl)-1-methyl-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3-methoxypropyl)-1-methyl-3-propylpyrazole-4,5-diamine
PubChem CID66019810
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name5-N-(3-methoxypropyl)-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NCCCOC)c1N
InChIInChI=1S/C11H22N4O/c1-4-6-9-10(12)11(15(2)14-9)13-7-5-8-16-3/h13H,4-8,12H2,1-3H3
InChIKeyOZVKAUMLCXPHPC-UHFFFAOYSA-N
XLogP1.40
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.40
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
1-methyl-5-N-(4-methylpentyl)-3-propylpyrazole-4,5-diamine
CID 66019860
1-methyl-3-propyl-5-N-(5,5,5-trifluoropentyl)pyrazole-4,5-diamine
CID 115515604
5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017735
3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine
CID 66014562
5-N-[2-(2-methoxyphenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 106259807
5-N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017741
5-N-(2,2-difluoroethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 115405451
5-N-[2-(3,5-difluorophenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019278
3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol
CID 66018131
1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
CID 66018882
N-(2-methoxyethyl)-N'-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine
CID 83029449

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-methoxypropyl)-1-methyl-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(3-methoxypropyl)-1-methyl-3-propylpyrazole-4,5-diamine (CID 66019810) is 5-N-(3-methoxypropyl)-1-methyl-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(3-methoxypropyl)-1-methyl-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(3-methoxypropyl)-1-methyl-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(NCCCOC)c1N.
What is the InChIKey of 5-N-(3-methoxypropyl)-1-methyl-3-propylpyrazole-4,5-diamine?
The InChIKey is OZVKAUMLCXPHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-4-6-9-10(12)11(15(2)14-9)13-7-5-8-16-3/h13H,4-8,12H2,1-3H3.
What are the key properties of 5-N-(3-methoxypropyl)-1-methyl-3-propylpyrazole-4,5-diamine?
5-N-(3-methoxypropyl)-1-methyl-3-propylpyrazole-4,5-diamine has a molecular weight of 226.32 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-methoxypropyl)-1-methyl-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66019810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).