4-[[4-amino-1-(2,3,4-trihydroxybutyl)pyrazol-5-yl]amino]butane-1,2,3-triol

C11H22N4O6 — CID 58999995

IUPAC4-[[4-amino-1-(2,3,4-trihydroxybutyl)pyrazol-5-yl]amino]butane-1,2,3-triol
SMILESNc1cnn(CC(O)C(O)CO)c1NCC(O)C(O)CO
InChIInChI=1S/C11H22N4O6/c12-6-1-14-15(3-8(19)10(21)5-17)11(6)13-2-7(18)9(20)4-16/h1,7-10,13,16-21H,2-5,12H2
InChIKeyLLFHEGXXROZGSV-UHFFFAOYSA-N
MW306.32 g/mol
LogP-3.69
Rot. Bonds9

About 4-[[4-amino-1-(2,3,4-trihydroxybutyl)pyrazol-5-yl]amino]butane-1,2,3-triol

4-[[4-amino-1-(2,3,4-trihydroxybutyl)pyrazol-5-yl]amino]butane-1,2,3-triol (PubChem CID 58999995) has the molecular formula C11H22N4O6 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-[[4-amino-1-(2,3,4-trihydroxybutyl)pyrazol-5-yl]amino]butane-1,2,3-triol.

Molecular Properties

Compound Name4-[[4-amino-1-(2,3,4-trihydroxybutyl)pyrazol-5-yl]amino]butane-1,2,3-triol
PubChem CID58999995
Molecular FormulaC11H22N4O6
Molecular Weight306.32 g/mol
Exact Mass306.15
IUPAC Name4-[[4-amino-1-(2,3,4-trihydroxybutyl)pyrazol-5-yl]amino]butane-1,2,3-triol
SMILESNc1cnn(CC(O)C(O)CO)c1NCC(O)C(O)CO
InChIInChI=1S/C11H22N4O6/c12-6-1-14-15(3-8(19)10(21)5-17)11(6)13-2-7(18)9(20)4-16/h1,7-10,13,16-21H,2-5,12H2
InChIKeyLLFHEGXXROZGSV-UHFFFAOYSA-N
XLogP-3.69
TPSA177.25 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.32
LogP ≤ 5-3.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze 4-[[4-amino-1-(2,3,4-trihydroxybutyl)pyrazol-5-yl]amino]butane-1,2,3-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-amino-1-(2-hydroxypropyl)pyrazol-5-yl]amino]butan-2-ol
CID 59000070
3-[4-amino-5-(ethylamino)pyrazol-1-yl]-2-methylpropan-1-ol
CID 59000072
3-[4-amino-5-(propan-2-ylamino)pyrazol-1-yl]propane-1,2-diol
CID 59000048
1-[4-amino-5-(4-hydroxybutylamino)pyrazol-1-yl]butan-2-ol
CID 59000041
1-(4,5-diaminopyrazol-1-yl)pentane-2,3-diol
CID 58980398
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-[2-(dimethylamino)ethyl]-5-N-ethylpyrazole-4,5-diamine
CID 58914028
2-[4-amino-5-(methylamino)pyrazol-1-yl]acetic acid
CID 58913994
(2R,3S,4S)-5-(2-aminoanilino)pentane-1,2,3,4-tetrol
CID 25169850
2-[[4-amino-1-(3-sulfopropyl)pyrazol-5-yl]amino]acetic acid
CID 58914019
3-(5-aminopyrazol-1-yl)propane-1,2-diol
CID 54224935

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-1-(2,3,4-trihydroxybutyl)pyrazol-5-yl]amino]butane-1,2,3-triol?
The IUPAC name of 4-[[4-amino-1-(2,3,4-trihydroxybutyl)pyrazol-5-yl]amino]butane-1,2,3-triol (CID 58999995) is 4-[[4-amino-1-(2,3,4-trihydroxybutyl)pyrazol-5-yl]amino]butane-1,2,3-triol.
What is the SMILES notation for 4-[[4-amino-1-(2,3,4-trihydroxybutyl)pyrazol-5-yl]amino]butane-1,2,3-triol?
The canonical SMILES for 4-[[4-amino-1-(2,3,4-trihydroxybutyl)pyrazol-5-yl]amino]butane-1,2,3-triol is Nc1cnn(CC(O)C(O)CO)c1NCC(O)C(O)CO.
What is the InChIKey of 4-[[4-amino-1-(2,3,4-trihydroxybutyl)pyrazol-5-yl]amino]butane-1,2,3-triol?
The InChIKey is LLFHEGXXROZGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O6/c12-6-1-14-15(3-8(19)10(21)5-17)11(6)13-2-7(18)9(20)4-16/h1,7-10,13,16-21H,2-5,12H2.
What are the key properties of 4-[[4-amino-1-(2,3,4-trihydroxybutyl)pyrazol-5-yl]amino]butane-1,2,3-triol?
4-[[4-amino-1-(2,3,4-trihydroxybutyl)pyrazol-5-yl]amino]butane-1,2,3-triol has a molecular weight of 306.32 g/mol, XLogP of -3.69, 9 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-1-(2,3,4-trihydroxybutyl)pyrazol-5-yl]amino]butane-1,2,3-triol is sourced from PubChem (CID 58999995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).