1-hexyl-3-methoxy-5-N-methylpyrazole-4,5-diamine

C11H22N4O — CID 66897713

IUPAC1-hexyl-3-methoxy-5-N-methylpyrazole-4,5-diamine
SMILESCCCCCCn1nc(OC)c(N)c1NC
InChIInChI=1S/C11H22N4O/c1-4-5-6-7-8-15-10(13-2)9(12)11(14-15)16-3/h13H,4-8,12H2,1-3H3
InChIKeyGDURVCALLVFHMX-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.10
Rot. Bonds7

About 1-hexyl-3-methoxy-5-N-methylpyrazole-4,5-diamine

1-hexyl-3-methoxy-5-N-methylpyrazole-4,5-diamine (PubChem CID 66897713) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-hexyl-3-methoxy-5-N-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-hexyl-3-methoxy-5-N-methylpyrazole-4,5-diamine
PubChem CID66897713
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name1-hexyl-3-methoxy-5-N-methylpyrazole-4,5-diamine
SMILESCCCCCCn1nc(OC)c(N)c1NC
InChIInChI=1S/C11H22N4O/c1-4-5-6-7-8-15-10(13-2)9(12)11(14-15)16-3/h13H,4-8,12H2,1-3H3
InChIKeyGDURVCALLVFHMX-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
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

2-Hexyl-5-(trifluoromethoxy)pyrazole-3,4-diamine
CID 66897370
5-Methoxy-1-methylpyrazole-3,4-diamine
CID 23298678
1-Isopropyl-5-methoxy-1H-pyrazole-3,4-diamine
CID 23298727
1-Ethyl-5-methoxy-1H-pyrazole-3,4-diamine
CID 23298742
5-Methoxy-1-propylpyrazole-3,4-diamine
CID 23298772
3-Methoxy-1-propylpyrazole-4,5-diamine
CID 57957907
1-Tert-butyl-4-isocyano-3-methoxypyrazol-5-amine
CID 59633766
1-Butyl-3-methoxypyrazole-4,5-diamine
CID 66769866
1-Cyclohexyl-3-methoxypyrazole-4,5-diamine
CID 66769869
1-Ethyl-3-methoxypyrazole-4,5-diamine
CID 66769906
2-(4,5-Diamino-3-methoxypyrazol-1-yl)ethanol
CID 66769968
1-(2-Aminoethyl)-3-methoxypyrazole-4,5-diamine
CID 66769969

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-methoxy-5-N-methylpyrazole-4,5-diamine?
The IUPAC name of 1-hexyl-3-methoxy-5-N-methylpyrazole-4,5-diamine (CID 66897713) is 1-hexyl-3-methoxy-5-N-methylpyrazole-4,5-diamine.
What is the SMILES notation for 1-hexyl-3-methoxy-5-N-methylpyrazole-4,5-diamine?
The canonical SMILES for 1-hexyl-3-methoxy-5-N-methylpyrazole-4,5-diamine is CCCCCCn1nc(OC)c(N)c1NC.
What is the InChIKey of 1-hexyl-3-methoxy-5-N-methylpyrazole-4,5-diamine?
The InChIKey is GDURVCALLVFHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-4-5-6-7-8-15-10(13-2)9(12)11(14-15)16-3/h13H,4-8,12H2,1-3H3.
What are the key properties of 1-hexyl-3-methoxy-5-N-methylpyrazole-4,5-diamine?
1-hexyl-3-methoxy-5-N-methylpyrazole-4,5-diamine has a molecular weight of 226.32 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-methoxy-5-N-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66897713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).