2-[5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-hydrazinyl-1H-pyrazol-4-yl]ethanol

C14H16FN7O — CID 71219341

IUPAC2-[5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-hydrazinyl-1H-pyrazol-4-yl]ethanol
SMILESNNc1n[nH]c(Cn2ccnc2-c2ncccc2F)c1CCO
InChIInChI=1S/C14H16FN7O/c15-10-2-1-4-17-12(10)14-18-5-6-22(14)8-11-9(3-7-23)13(19-16)21-20-11/h1-2,4-6,23H,3,7-8,16H2,(H2,19,20,21)
InChIKeyXSXCZJXNYDLPQB-UHFFFAOYSA-N
MW317.33 g/mol
LogP0.68
Rot. Bonds6

About 2-[5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-hydrazinyl-1H-pyrazol-4-yl]ethanol

2-[5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-hydrazinyl-1H-pyrazol-4-yl]ethanol (PubChem CID 71219341) has the molecular formula C14H16FN7O and a molecular weight of 317.33 g/mol. Its IUPAC name is 2-[5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-hydrazinyl-1H-pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-hydrazinyl-1H-pyrazol-4-yl]ethanol
PubChem CID71219341
Molecular FormulaC14H16FN7O
Molecular Weight317.33 g/mol
Exact Mass317.14
IUPAC Name2-[5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-hydrazinyl-1H-pyrazol-4-yl]ethanol
SMILESNNc1n[nH]c(Cn2ccnc2-c2ncccc2F)c1CCO
InChIInChI=1S/C14H16FN7O/c15-10-2-1-4-17-12(10)14-18-5-6-22(14)8-11-9(3-7-23)13(19-16)21-20-11/h1-2,4-6,23H,3,7-8,16H2,(H2,19,20,21)
InChIKeyXSXCZJXNYDLPQB-UHFFFAOYSA-N
XLogP0.68
TPSA117.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-hydrazinyl-1H-pyrazol-4-yl]ethanol?
The IUPAC name of 2-[5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-hydrazinyl-1H-pyrazol-4-yl]ethanol (CID 71219341) is 2-[5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-hydrazinyl-1H-pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-hydrazinyl-1H-pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-hydrazinyl-1H-pyrazol-4-yl]ethanol is NNc1n[nH]c(Cn2ccnc2-c2ncccc2F)c1CCO.
What is the InChIKey of 2-[5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-hydrazinyl-1H-pyrazol-4-yl]ethanol?
The InChIKey is XSXCZJXNYDLPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN7O/c15-10-2-1-4-17-12(10)14-18-5-6-22(14)8-11-9(3-7-23)13(19-16)21-20-11/h1-2,4-6,23H,3,7-8,16H2,(H2,19,20,21).
What are the key properties of 2-[5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-hydrazinyl-1H-pyrazol-4-yl]ethanol?
2-[5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-hydrazinyl-1H-pyrazol-4-yl]ethanol has a molecular weight of 317.33 g/mol, XLogP of 0.68, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-3-hydrazinyl-1H-pyrazol-4-yl]ethanol is sourced from PubChem (CID 71219341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).