N-[1-[2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine

C16H21N3O2 — CID 77125349

IUPACN-[1-[2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine
SMILESCCc1cc(COc2ccc(C)cc2C(C)=NO)n(C)n1
InChIInChI=1S/C16H21N3O2/c1-5-13-9-14(19(4)17-13)10-21-16-7-6-11(2)8-15(16)12(3)18-20/h6-9,20H,5,10H2,1-4H3
InChIKeyLLLKKIGXDNQVFW-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.07
Rot. Bonds5

About N-[1-[2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine

N-[1-[2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine (PubChem CID 77125349) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[1-[2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine
PubChem CID77125349
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[1-[2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine
SMILESCCc1cc(COc2ccc(C)cc2C(C)=NO)n(C)n1
InChIInChI=1S/C16H21N3O2/c1-5-13-9-14(19(4)17-13)10-21-16-7-6-11(2)8-15(16)12(3)18-20/h6-9,20H,5,10H2,1-4H3
InChIKeyLLLKKIGXDNQVFW-UHFFFAOYSA-N
XLogP3.07
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.07
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-[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 77103658
3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid
CID 82826423
(NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 98298024
(NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 43504951
3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propan-1-ol
CID 98511673
methyl 5-amino-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoate
CID 106955798
N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 74880473
[3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79150480
N-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine
CID 77055461
(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine
CID 114849667
N-[1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 77103699
(NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine
CID 83157735

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine (CID 77125349) is N-[1-[2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine is CCc1cc(COc2ccc(C)cc2C(C)=NO)n(C)n1.
What is the InChIKey of N-[1-[2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine?
The InChIKey is LLLKKIGXDNQVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-13-9-14(19(4)17-13)10-21-16-7-6-11(2)8-15(16)12(3)18-20/h6-9,20H,5,10H2,1-4H3.
What are the key properties of N-[1-[2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine?
N-[1-[2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine has a molecular weight of 287.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 77125349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).