(NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine

C11H10ClN3O — CID 6483733

IUPAC(NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine
SMILESCc1nn(-c2ccccc2)c(Cl)c1/C=N/O
InChIInChI=1S/C11H10ClN3O/c1-8-10(7-13-16)11(12)15(14-8)9-5-3-2-4-6-9/h2-7,16H,1H3/b13-7+
InChIKeyFXCSSKUVKXTGJN-NTUHNPAUSA-N
MW235.67 g/mol
LogP2.64
Rot. Bonds2

About (NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine

(NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine (PubChem CID 6483733) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is (NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine
PubChem CID6483733
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name(NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine
SMILESCc1nn(-c2ccccc2)c(Cl)c1/C=N/O
InChIInChI=1S/C11H10ClN3O/c1-8-10(7-13-16)11(12)15(14-8)9-5-3-2-4-6-9/h2-7,16H,1H3/b13-7+
InChIKeyFXCSSKUVKXTGJN-NTUHNPAUSA-N
XLogP2.64
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.64
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

(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine
CID 699347
N-[[5-(2-chlorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 141088217
N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline
CID 7301273
(E)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-phenylmethoxymethanimine
CID 46567036
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]naphthalen-2-amine
CID 3669791
N-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylidene]hydroxylamine
CID 781091
1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(2,6-dimethylpiperidin-1-yl)methanimine
CID 3319538
(Z)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine
CID 6597521
2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 1079704
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6070242
2-[(2E)-2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]benzoic acid
CID 45327494
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]cyclopropanecarboxamide
CID 6907935

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine (CID 6483733) is (NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine is Cc1nn(-c2ccccc2)c(Cl)c1/C=N/O.
What is the InChIKey of (NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine?
The InChIKey is FXCSSKUVKXTGJN-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-8-10(7-13-16)11(12)15(14-8)9-5-3-2-4-6-9/h2-7,16H,1H3/b13-7+.
What are the key properties of (NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine?
(NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine has a molecular weight of 235.67 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 6483733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).