1-(3-methoxybutyl)pyrazole-4,5-diamine

C8H16N4O — CID 58913917

IUPAC1-(3-methoxybutyl)pyrazole-4,5-diamine
SMILESCOC(C)CCn1ncc(N)c1N
InChIInChI=1S/C8H16N4O/c1-6(13-2)3-4-12-8(10)7(9)5-11-12/h5-6H,3-4,9-10H2,1-2H3
InChIKeyQMIZYKXDFILFFH-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.47
Rot. Bonds4

About 1-(3-methoxybutyl)pyrazole-4,5-diamine

1-(3-methoxybutyl)pyrazole-4,5-diamine (PubChem CID 58913917) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(3-methoxybutyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-(3-methoxybutyl)pyrazole-4,5-diamine
PubChem CID58913917
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name1-(3-methoxybutyl)pyrazole-4,5-diamine
SMILESCOC(C)CCn1ncc(N)c1N
InChIInChI=1S/C8H16N4O/c1-6(13-2)3-4-12-8(10)7(9)5-11-12/h5-6H,3-4,9-10H2,1-2H3
InChIKeyQMIZYKXDFILFFH-UHFFFAOYSA-N
XLogP0.47
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(dimethylamino)-3-methylbutyl]pyrazole-4,5-diamine
CID 58913904
1-(3-aminopropyl)pyrazole-4,5-diamine
CID 22227390
1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine
CID 22227389
5-N,5-N-dimethyl-1-(3-methylbutyl)pyrazole-4,5-diamine;ethane
CID 142163154
2-(4,5-diaminopyrazol-1-yl)ethanol;hydroxy hydrogen sulfite
CID 163507816
4-(4,5-diaminopyrazol-1-yl)butanamide
CID 58913950
5-amino-2-(2-methoxypropyl)pyridazin-3-one
CID 103218443
1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol
CID 58980398
4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine
CID 160635766
2-(4,5-diaminopyrazol-1-yl)ethanol;2-methylbenzene-1,3-diol
CID 68563050
1-prop-2-enylpyrazole-4,5-diamine
CID 67655592
1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine
CID 105189862

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybutyl)pyrazole-4,5-diamine?
The IUPAC name of 1-(3-methoxybutyl)pyrazole-4,5-diamine (CID 58913917) is 1-(3-methoxybutyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-(3-methoxybutyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-(3-methoxybutyl)pyrazole-4,5-diamine is COC(C)CCn1ncc(N)c1N.
What is the InChIKey of 1-(3-methoxybutyl)pyrazole-4,5-diamine?
The InChIKey is QMIZYKXDFILFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-6(13-2)3-4-12-8(10)7(9)5-11-12/h5-6H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(3-methoxybutyl)pyrazole-4,5-diamine?
1-(3-methoxybutyl)pyrazole-4,5-diamine has a molecular weight of 184.24 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybutyl)pyrazole-4,5-diamine is sourced from PubChem (CID 58913917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).