1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine

C18H19ClN4O — CID 155217844

IUPAC1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
SMILESCc1cccc(N(C)N)c1COc1ccn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H19ClN4O/c1-13-4-3-5-17(22(2)20)16(13)12-24-18-10-11-23(21-18)15-8-6-14(19)7-9-15/h3-11H,12,20H2,1-2H3
InChIKeyXTGUJEIWQNVANA-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.72
Rot. Bonds5

About 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine

1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine (PubChem CID 155217844) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
PubChem CID155217844
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
SMILESCc1cccc(N(C)N)c1COc1ccn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H19ClN4O/c1-13-4-3-5-17(22(2)20)16(13)12-24-18-10-11-23(21-18)15-8-6-14(19)7-9-15/h3-11H,12,20H2,1-2H3
InChIKeyXTGUJEIWQNVANA-UHFFFAOYSA-N
XLogP3.72
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-ethenylphenyl]-1-methylhydrazine
CID 155217759
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-cyclopropylphenyl]-1-methylhydrazine
CID 134293404
1-methyl-1-[3-methyl-2-[[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine
CID 155217757
1-methyl-1-[3-methyl-2-[[1-(1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine
CID 138495663
1-methyl-1-[3-methyl-2-[[1-(2-propan-2-yloxyphenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine
CID 155217765
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-4-methyl-5-methylidenetetrazole
CID 142494394
1-[2-[2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyethyl]-3-methylphenyl]-4-methyltetrazol-5-one
CID 175441280
1,3-diamino-1-[3-methyl-2-[(1-thiophen-3-ylpyrazol-3-yl)oxymethyl]phenyl]urea
CID 144783523
N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-phenylhydroxylamine
CID 172560765
3-[(2-bromophenyl)methoxy]-1-(4-chlorophenyl)pyrazole
CID 67042683
methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate
CID 6422843
1,3-diamino-1-[2-[[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]oxymethyl]-3-methylphenyl]-3-methylurea
CID 155236372

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine?
The IUPAC name of 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine (CID 155217844) is 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine?
The canonical SMILES for 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine is Cc1cccc(N(C)N)c1COc1ccn(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine?
The InChIKey is XTGUJEIWQNVANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-13-4-3-5-17(22(2)20)16(13)12-24-18-10-11-23(21-18)15-8-6-14(19)7-9-15/h3-11H,12,20H2,1-2H3.
What are the key properties of 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine?
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine has a molecular weight of 342.83 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine is sourced from PubChem (CID 155217844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).