(NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine

C15H19N3O2 — CID 103003106

IUPAC(NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccc(C)cc1OCCc1ccnn1C
InChIInChI=1S/C15H19N3O2/c1-11-4-5-14(12(2)17-19)15(10-11)20-9-7-13-6-8-16-18(13)3/h4-6,8,10,19H,7,9H2,1-3H3/b17-12-
InChIKeyWJTAXXLURRGDRD-ATVHPVEESA-N
MW273.34 g/mol
LogP2.55
Rot. Bonds5

About (NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine

(NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine (PubChem CID 103003106) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine
PubChem CID103003106
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccc(C)cc1OCCc1ccnn1C
InChIInChI=1S/C15H19N3O2/c1-11-4-5-14(12(2)17-19)15(10-11)20-9-7-13-6-8-16-18(13)3/h4-6,8,10,19H,7,9H2,1-3H3/b17-12-
InChIKeyWJTAXXLURRGDRD-ATVHPVEESA-N
XLogP2.55
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.55
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

5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole
CID 103016135
1-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanone
CID 103002738
potassium trifluoro-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]boranuide
CID 103003907
5-[2-[2-(bromomethyl)-4-methylphenoxy]ethyl]-1-methylpyrazole
CID 103003791
N-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine
CID 77003544
5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol
CID 77003699
4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid
CID 102999412
(NE)-N-[1-[2-(3-ethylsulfanylpropoxy)-4-methylphenyl]ethylidene]hydroxylamine
CID 113473665
N-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 77003503
3-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N,N-dimethylpropanamide
CID 77003549
N-[1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 77103699
methyl 4-amino-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoate
CID 106955136

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine (CID 103003106) is (NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine is C/C(=N/O)c1ccc(C)cc1OCCc1ccnn1C.
What is the InChIKey of (NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine?
The InChIKey is WJTAXXLURRGDRD-ATVHPVEESA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-4-5-14(12(2)17-19)15(10-11)20-9-7-13-6-8-16-18(13)3/h4-6,8,10,19H,7,9H2,1-3H3/b17-12-.
What are the key properties of (NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine?
(NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine has a molecular weight of 273.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 103003106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).