(NE)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethylidene]hydroxylamine

C11H12N4O — CID 82534296

IUPAC(NE)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1cncc(-c2cnn(C)c2)c1
InChIInChI=1S/C11H12N4O/c1-8(14-16)9-3-10(5-12-4-9)11-6-13-15(2)7-11/h3-7,16H,1-2H3/b14-8+
InChIKeyQAEMSYNDODKQLU-RIYZIHGNSA-N
MW216.24 g/mol
LogP1.68
Rot. Bonds2

About (NE)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethylidene]hydroxylamine

(NE)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethylidene]hydroxylamine (PubChem CID 82534296) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is (NE)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethylidene]hydroxylamine
PubChem CID82534296
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name(NE)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1cncc(-c2cnn(C)c2)c1
InChIInChI=1S/C11H12N4O/c1-8(14-16)9-3-10(5-12-4-9)11-6-13-15(2)7-11/h3-7,16H,1-2H3/b14-8+
InChIKeyQAEMSYNDODKQLU-RIYZIHGNSA-N
XLogP1.68
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethylidene]hydroxylamine
CID 141370272
5-(1-methylpyrazol-4-yl)pyridine-3-carbohydrazide
CID 175442259
3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine
CID 59333396
1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine
CID 82542206
N-methyl-1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine
CID 82540595
5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol
CID 175705543
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 56784410
N-methyl-5-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
CID 95617225
N-(3-cyclohexyl-1-methylpyrazol-5-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 139007809
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 95617299
3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
CID 119106449
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 110090655

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethylidene]hydroxylamine (CID 82534296) is (NE)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethylidene]hydroxylamine is C/C(=N\O)c1cncc(-c2cnn(C)c2)c1.
What is the InChIKey of (NE)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethylidene]hydroxylamine?
The InChIKey is QAEMSYNDODKQLU-RIYZIHGNSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8(14-16)9-3-10(5-12-4-9)11-6-13-15(2)7-11/h3-7,16H,1-2H3/b14-8+.
What are the key properties of (NE)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethylidene]hydroxylamine?
(NE)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethylidene]hydroxylamine has a molecular weight of 216.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethylidene]hydroxylamine is sourced from PubChem (CID 82534296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).