(NZ)-N-[3,4-dihydropyrazol-2-yl-[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine

C16H15FN4O2 — CID 56676231

IUPAC(NZ)-N-[3,4-dihydropyrazol-2-yl-[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C(/c1cccnc1OCc1ccccc1F)N1CCC=N1
InChIInChI=1S/C16H15FN4O2/c17-14-7-2-1-5-12(14)11-23-16-13(6-3-8-18-16)15(20-22)21-10-4-9-19-21/h1-3,5-9,22H,4,10-11H2/b20-15-
InChIKeyUSTZBPGNUWAIID-HKWRFOASSA-N
MW314.32 g/mol
LogP2.63
Rot. Bonds4

About (NZ)-N-[3,4-dihydropyrazol-2-yl-[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine

(NZ)-N-[3,4-dihydropyrazol-2-yl-[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 56676231) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is (NZ)-N-[3,4-dihydropyrazol-2-yl-[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[3,4-dihydropyrazol-2-yl-[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine
PubChem CID56676231
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name(NZ)-N-[3,4-dihydropyrazol-2-yl-[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine
SMILESO/N=C(/c1cccnc1OCc1ccccc1F)N1CCC=N1
InChIInChI=1S/C16H15FN4O2/c17-14-7-2-1-5-12(14)11-23-16-13(6-3-8-18-16)15(20-22)21-10-4-9-19-21/h1-3,5-9,22H,4,10-11H2/b20-15-
InChIKeyUSTZBPGNUWAIID-HKWRFOASSA-N
XLogP2.63
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NZ)-N-[3,4-dihydropyrazol-2-yl-[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[3,4-dihydropyrazol-2-yl-[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine (CID 56676231) is (NZ)-N-[3,4-dihydropyrazol-2-yl-[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[3,4-dihydropyrazol-2-yl-[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[3,4-dihydropyrazol-2-yl-[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine is O/N=C(/c1cccnc1OCc1ccccc1F)N1CCC=N1.
What is the InChIKey of (NZ)-N-[3,4-dihydropyrazol-2-yl-[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is USTZBPGNUWAIID-HKWRFOASSA-N. The full InChI is InChI=1S/C16H15FN4O2/c17-14-7-2-1-5-12(14)11-23-16-13(6-3-8-18-16)15(20-22)21-10-4-9-19-21/h1-3,5-9,22H,4,10-11H2/b20-15-.
What are the key properties of (NZ)-N-[3,4-dihydropyrazol-2-yl-[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine?
(NZ)-N-[3,4-dihydropyrazol-2-yl-[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 314.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3,4-dihydropyrazol-2-yl-[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 56676231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).