N-[1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine

C15H18ClN3O2 — CID 77103699

IUPACN-[1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(C)cc1OCc1c(Cl)c(C)nn1C
InChIInChI=1S/C15H18ClN3O2/c1-9-5-6-12(10(2)18-20)14(7-9)21-8-13-15(16)11(3)17-19(13)4/h5-7,20H,8H2,1-4H3
InChIKeyDPRYVGBDUKBMGL-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.47
Rot. Bonds4

About N-[1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine

N-[1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine (PubChem CID 77103699) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
PubChem CID77103699
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(C)cc1OCc1c(Cl)c(C)nn1C
InChIInChI=1S/C15H18ClN3O2/c1-9-5-6-12(10(2)18-20)14(7-9)21-8-13-15(16)11(3)17-19(13)4/h5-7,20H,8H2,1-4H3
InChIKeyDPRYVGBDUKBMGL-UHFFFAOYSA-N
XLogP3.47
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.47
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

2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77103786
N-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 77003503
(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 103046785
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790359
(NZ)-N-[1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 103038202
(NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine
CID 103003106
N-[1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethylidene]hydroxylamine
CID 77003544
(NZ)-N-[1-[2-[(2,6-difluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 114930383
5-bromo-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]benzenecarbothioamide
CID 83146255
1-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylphenoxy]-2-methylpropan-2-ol
CID 55245338
(NE)-N-[1-[2-(3-ethylsulfanylpropoxy)-4-methylphenyl]ethylidene]hydroxylamine
CID 113473665
[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79156679

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine (CID 77103699) is N-[1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine is CC(=NO)c1ccc(C)cc1OCc1c(Cl)c(C)nn1C.
What is the InChIKey of N-[1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine?
The InChIKey is DPRYVGBDUKBMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-9-5-6-12(10(2)18-20)14(7-9)21-8-13-15(16)11(3)17-19(13)4/h5-7,20H,8H2,1-4H3.
What are the key properties of N-[1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine?
N-[1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine has a molecular weight of 307.78 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 77103699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).