1-[4-amino-5-(4-hydroxybutylamino)pyrazol-1-yl]butan-2-ol

C11H22N4O2 — CID 59000041

IUPAC1-[4-amino-5-(4-hydroxybutylamino)pyrazol-1-yl]butan-2-ol
SMILESCCC(O)Cn1ncc(N)c1NCCCCO
InChIInChI=1S/C11H22N4O2/c1-2-9(17)8-15-11(10(12)7-14-15)13-5-3-4-6-16/h7,9,13,16-17H,2-6,8,12H2,1H3
InChIKeyDOUWQWNASVIVKL-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.42
Rot. Bonds8

About 1-[4-amino-5-(4-hydroxybutylamino)pyrazol-1-yl]butan-2-ol

1-[4-amino-5-(4-hydroxybutylamino)pyrazol-1-yl]butan-2-ol (PubChem CID 59000041) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[4-amino-5-(4-hydroxybutylamino)pyrazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[4-amino-5-(4-hydroxybutylamino)pyrazol-1-yl]butan-2-ol
PubChem CID59000041
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name1-[4-amino-5-(4-hydroxybutylamino)pyrazol-1-yl]butan-2-ol
SMILESCCC(O)Cn1ncc(N)c1NCCCCO
InChIInChI=1S/C11H22N4O2/c1-2-9(17)8-15-11(10(12)7-14-15)13-5-3-4-6-16/h7,9,13,16-17H,2-6,8,12H2,1H3
InChIKeyDOUWQWNASVIVKL-UHFFFAOYSA-N
XLogP0.42
TPSA96.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-amino-1-(2-hydroxypropyl)pyrazol-5-yl]amino]butan-2-ol
CID 59000070
3-[4-amino-5-(propan-2-ylamino)pyrazol-1-yl]propane-1,2-diol
CID 59000048
3-[4-amino-5-(ethylamino)pyrazol-1-yl]-2-methylpropan-1-ol
CID 59000072
4-[[4-amino-1-(2,3,4-trihydroxybutyl)pyrazol-5-yl]amino]butane-1,2,3-triol
CID 58999995
2-[[4-amino-1-(2-hydroxyethyl)pyrazol-5-yl]amino]ethanol
CID 22918623
1-(4,5-diaminopyrazol-1-yl)hexan-2-ol
CID 58980428
1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol
CID 58980398
5-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]pentan-1-ol
CID 107316439
5-N-(2-aminoethyl)-1-(3-methoxypropyl)pyrazole-4,5-diamine
CID 58913962
6-[(1-methylpyrazol-4-yl)amino]hexan-1-ol
CID 107703485
1-[5-(4-hydroxybutylamino)-1-methylpyrazol-4-yl]ethanone
CID 167159000
6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol
CID 107843957

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-5-(4-hydroxybutylamino)pyrazol-1-yl]butan-2-ol?
The IUPAC name of 1-[4-amino-5-(4-hydroxybutylamino)pyrazol-1-yl]butan-2-ol (CID 59000041) is 1-[4-amino-5-(4-hydroxybutylamino)pyrazol-1-yl]butan-2-ol.
What is the SMILES notation for 1-[4-amino-5-(4-hydroxybutylamino)pyrazol-1-yl]butan-2-ol?
The canonical SMILES for 1-[4-amino-5-(4-hydroxybutylamino)pyrazol-1-yl]butan-2-ol is CCC(O)Cn1ncc(N)c1NCCCCO.
What is the InChIKey of 1-[4-amino-5-(4-hydroxybutylamino)pyrazol-1-yl]butan-2-ol?
The InChIKey is DOUWQWNASVIVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-2-9(17)8-15-11(10(12)7-14-15)13-5-3-4-6-16/h7,9,13,16-17H,2-6,8,12H2,1H3.
What are the key properties of 1-[4-amino-5-(4-hydroxybutylamino)pyrazol-1-yl]butan-2-ol?
1-[4-amino-5-(4-hydroxybutylamino)pyrazol-1-yl]butan-2-ol has a molecular weight of 242.32 g/mol, XLogP of 0.42, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-5-(4-hydroxybutylamino)pyrazol-1-yl]butan-2-ol is sourced from PubChem (CID 59000041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).