4-azido-1-(1H-pyrazol-4-yl)butane-1,2-diol

C7H11N5O2 — CID 171878849

IUPAC4-azido-1-(1H-pyrazol-4-yl)butane-1,2-diol
SMILES[N-]=[N+]=NCCC(O)C(O)c1cn[nH]c1
InChIInChI=1S/C7H11N5O2/c8-12-9-2-1-6(13)7(14)5-3-10-11-4-5/h3-4,6-7,13-14H,1-2H2,(H,10,11)
InChIKeyVCAHAHKPDBBOGJ-UHFFFAOYSA-N
MW197.20 g/mol
LogP0.50
Rot. Bonds5

About 4-azido-1-(1H-pyrazol-4-yl)butane-1,2-diol

4-azido-1-(1H-pyrazol-4-yl)butane-1,2-diol (PubChem CID 171878849) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 4-azido-1-(1H-pyrazol-4-yl)butane-1,2-diol.

Molecular Properties

Compound Name4-azido-1-(1H-pyrazol-4-yl)butane-1,2-diol
PubChem CID171878849
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name4-azido-1-(1H-pyrazol-4-yl)butane-1,2-diol
SMILES[N-]=[N+]=NCCC(O)C(O)c1cn[nH]c1
InChIInChI=1S/C7H11N5O2/c8-12-9-2-1-6(13)7(14)5-3-10-11-4-5/h3-4,6-7,13-14H,1-2H2,(H,10,11)
InChIKeyVCAHAHKPDBBOGJ-UHFFFAOYSA-N
XLogP0.50
TPSA117.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminopyrimidin-5-yl)-4-azidobutane-1,2-diol
CID 171878981
4-azido-1-(2-fluoropyrimidin-5-yl)butane-1,2-diol
CID 171878905
4-azido-1-(2-chloropyrimidin-5-yl)butane-1,2-diol
CID 171878904
4-azido-1-(5-hydroxy-3-pyridinyl)butane-1,2-diol
CID 171878967
4-azido-1-(5-bromo-3-pyridinyl)butane-1,2-diol
CID 171880522
4-azido-1-(4-sulfanylphenyl)butane-1,2-diol
CID 171878886
methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-2-carboxylate
CID 171879918
1-[5-(4-azido-1,2-dihydroxybutyl)-3-pyridinyl]ethanone
CID 171879579
4-azido-1-(4-ethynylphenyl)butane-1,2-diol
CID 171879017
methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate
CID 171879917
methyl 6-(4-azido-1,2-dihydroxybutyl)-1H-indazole-4-carboxylate
CID 171880442
4-azido-1-(2-methyl-4-pyridinyl)butane-1,2-diol
CID 171878958

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-(1H-pyrazol-4-yl)butane-1,2-diol?
The IUPAC name of 4-azido-1-(1H-pyrazol-4-yl)butane-1,2-diol (CID 171878849) is 4-azido-1-(1H-pyrazol-4-yl)butane-1,2-diol.
What is the SMILES notation for 4-azido-1-(1H-pyrazol-4-yl)butane-1,2-diol?
The canonical SMILES for 4-azido-1-(1H-pyrazol-4-yl)butane-1,2-diol is [N-]=[N+]=NCCC(O)C(O)c1cn[nH]c1.
What is the InChIKey of 4-azido-1-(1H-pyrazol-4-yl)butane-1,2-diol?
The InChIKey is VCAHAHKPDBBOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c8-12-9-2-1-6(13)7(14)5-3-10-11-4-5/h3-4,6-7,13-14H,1-2H2,(H,10,11).
What are the key properties of 4-azido-1-(1H-pyrazol-4-yl)butane-1,2-diol?
4-azido-1-(1H-pyrazol-4-yl)butane-1,2-diol has a molecular weight of 197.20 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-(1H-pyrazol-4-yl)butane-1,2-diol is sourced from PubChem (CID 171878849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).