(NZ)-N-[1-(3-fluoro-4-pyrazol-1-ylphenyl)ethylidene]hydroxylamine

C11H10FN3O — CID 94830259

IUPAC(NZ)-N-[1-(3-fluoro-4-pyrazol-1-ylphenyl)ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C11H10FN3O/c1-8(14-16)9-3-4-11(10(12)7-9)15-6-2-5-13-15/h2-7,16H,1H3/b14-8-
InChIKeyKQDIQQBZGMZRNY-ZSOIEALJSA-N
MW219.22 g/mol
LogP2.21
Rot. Bonds2

About (NZ)-N-[1-(3-fluoro-4-pyrazol-1-ylphenyl)ethylidene]hydroxylamine

(NZ)-N-[1-(3-fluoro-4-pyrazol-1-ylphenyl)ethylidene]hydroxylamine (PubChem CID 94830259) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is (NZ)-N-[1-(3-fluoro-4-pyrazol-1-ylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(3-fluoro-4-pyrazol-1-ylphenyl)ethylidene]hydroxylamine
PubChem CID94830259
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name(NZ)-N-[1-(3-fluoro-4-pyrazol-1-ylphenyl)ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C11H10FN3O/c1-8(14-16)9-3-4-11(10(12)7-9)15-6-2-5-13-15/h2-7,16H,1H3/b14-8-
InChIKeyKQDIQQBZGMZRNY-ZSOIEALJSA-N
XLogP2.21
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol
CID 43506232
(3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone
CID 122135997
3-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrazol-1-ylbenzamide
CID 111543227
2-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methylpropan-1-ol
CID 117340384
N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine
CID 117295562
(3-fluoro-4-pyrazol-1-ylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99609775
N-(2-adamantyl)-3-fluoro-N-methyl-4-pyrazol-1-ylbenzamide
CID 167974748
5-[(3-fluoro-4-pyrazol-1-ylbenzoyl)amino]thiophene-3-carboxylic acid
CID 139010552
1-(3-fluoro-4-pyrazol-1-ylphenyl)triazole
CID 58758348
1-(2-fluoro-4-nitrophenyl)pyrazole
CID 10703514
1-(3-amino-4-pyrazol-1-ylphenyl)ethanone
CID 124702914
(3-fluoro-4-pyrazol-1-ylphenyl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95322683

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(3-fluoro-4-pyrazol-1-ylphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(3-fluoro-4-pyrazol-1-ylphenyl)ethylidene]hydroxylamine (CID 94830259) is (NZ)-N-[1-(3-fluoro-4-pyrazol-1-ylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(3-fluoro-4-pyrazol-1-ylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(3-fluoro-4-pyrazol-1-ylphenyl)ethylidene]hydroxylamine is C/C(=N/O)c1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of (NZ)-N-[1-(3-fluoro-4-pyrazol-1-ylphenyl)ethylidene]hydroxylamine?
The InChIKey is KQDIQQBZGMZRNY-ZSOIEALJSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-8(14-16)9-3-4-11(10(12)7-9)15-6-2-5-13-15/h2-7,16H,1H3/b14-8-.
What are the key properties of (NZ)-N-[1-(3-fluoro-4-pyrazol-1-ylphenyl)ethylidene]hydroxylamine?
(NZ)-N-[1-(3-fluoro-4-pyrazol-1-ylphenyl)ethylidene]hydroxylamine has a molecular weight of 219.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(3-fluoro-4-pyrazol-1-ylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 94830259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).