N'-[2-(3-fluorophenyl)-2-hydroxyacetyl]-4-methoxy-1H-indazole-5-carbohydrazide

C17H15FN4O4 — CID 46179634

IUPACN'-[2-(3-fluorophenyl)-2-hydroxyacetyl]-4-methoxy-1H-indazole-5-carbohydrazide
SMILESCOc1c(C(=O)NNC(=O)C(O)c2cccc(F)c2)ccc2[nH]ncc12
InChIInChI=1S/C17H15FN4O4/c1-26-15-11(5-6-13-12(15)8-19-20-13)16(24)21-22-17(25)14(23)9-3-2-4-10(18)7-9/h2-8,14,23H,1H3,(H,19,20)(H,21,24)(H,22,25)
InChIKeyHLYVRLOWBDUINY-UHFFFAOYSA-N
MW358.33 g/mol
LogP1.21
Rot. Bonds4

About N'-[2-(3-fluorophenyl)-2-hydroxyacetyl]-4-methoxy-1H-indazole-5-carbohydrazide

N'-[2-(3-fluorophenyl)-2-hydroxyacetyl]-4-methoxy-1H-indazole-5-carbohydrazide (PubChem CID 46179634) has the molecular formula C17H15FN4O4 and a molecular weight of 358.33 g/mol. Its IUPAC name is N'-[2-(3-fluorophenyl)-2-hydroxyacetyl]-4-methoxy-1H-indazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-fluorophenyl)-2-hydroxyacetyl]-4-methoxy-1H-indazole-5-carbohydrazide
PubChem CID46179634
Molecular FormulaC17H15FN4O4
Molecular Weight358.33 g/mol
Exact Mass358.11
IUPAC NameN'-[2-(3-fluorophenyl)-2-hydroxyacetyl]-4-methoxy-1H-indazole-5-carbohydrazide
SMILESCOc1c(C(=O)NNC(=O)C(O)c2cccc(F)c2)ccc2[nH]ncc12
InChIInChI=1S/C17H15FN4O4/c1-26-15-11(5-6-13-12(15)8-19-20-13)16(24)21-22-17(25)14(23)9-3-2-4-10(18)7-9/h2-8,14,23H,1H3,(H,19,20)(H,21,24)(H,22,25)
InChIKeyHLYVRLOWBDUINY-UHFFFAOYSA-N
XLogP1.21
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-fluorophenyl)-2-hydroxyacetyl]-4-methoxy-1H-indazole-5-carbohydrazide?
The IUPAC name of N'-[2-(3-fluorophenyl)-2-hydroxyacetyl]-4-methoxy-1H-indazole-5-carbohydrazide (CID 46179634) is N'-[2-(3-fluorophenyl)-2-hydroxyacetyl]-4-methoxy-1H-indazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(3-fluorophenyl)-2-hydroxyacetyl]-4-methoxy-1H-indazole-5-carbohydrazide?
The canonical SMILES for N'-[2-(3-fluorophenyl)-2-hydroxyacetyl]-4-methoxy-1H-indazole-5-carbohydrazide is COc1c(C(=O)NNC(=O)C(O)c2cccc(F)c2)ccc2[nH]ncc12.
What is the InChIKey of N'-[2-(3-fluorophenyl)-2-hydroxyacetyl]-4-methoxy-1H-indazole-5-carbohydrazide?
The InChIKey is HLYVRLOWBDUINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O4/c1-26-15-11(5-6-13-12(15)8-19-20-13)16(24)21-22-17(25)14(23)9-3-2-4-10(18)7-9/h2-8,14,23H,1H3,(H,19,20)(H,21,24)(H,22,25).
What are the key properties of N'-[2-(3-fluorophenyl)-2-hydroxyacetyl]-4-methoxy-1H-indazole-5-carbohydrazide?
N'-[2-(3-fluorophenyl)-2-hydroxyacetyl]-4-methoxy-1H-indazole-5-carbohydrazide has a molecular weight of 358.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-fluorophenyl)-2-hydroxyacetyl]-4-methoxy-1H-indazole-5-carbohydrazide is sourced from PubChem (CID 46179634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).