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

C19H19ClN4O — CID 155217759

IUPAC1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-ethenylphenyl]-1-methylhydrazine
SMILESC=Cc1cccc(N(C)N)c1COc1ccn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H19ClN4O/c1-3-14-5-4-6-18(23(2)21)17(14)13-25-19-11-12-24(22-19)16-9-7-15(20)8-10-16/h3-12H,1,13,21H2,2H3
InChIKeyIMHLXNXGTHZHMZ-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.06
Rot. Bonds6

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

1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-ethenylphenyl]-1-methylhydrazine (PubChem CID 155217759) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-ethenylphenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-ethenylphenyl]-1-methylhydrazine
PubChem CID155217759
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-ethenylphenyl]-1-methylhydrazine
SMILESC=Cc1cccc(N(C)N)c1COc1ccn(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H19ClN4O/c1-3-14-5-4-6-18(23(2)21)17(14)13-25-19-11-12-24(22-19)16-9-7-15(20)8-10-16/h3-12H,1,13,21H2,2H3
InChIKeyIMHLXNXGTHZHMZ-UHFFFAOYSA-N
XLogP4.06
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-ethenylphenyl]-1-methylhydrazine?
The IUPAC name of 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-ethenylphenyl]-1-methylhydrazine (CID 155217759) is 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-ethenylphenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-ethenylphenyl]-1-methylhydrazine?
The canonical SMILES for 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-ethenylphenyl]-1-methylhydrazine is C=Cc1cccc(N(C)N)c1COc1ccn(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-ethenylphenyl]-1-methylhydrazine?
The InChIKey is IMHLXNXGTHZHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-3-14-5-4-6-18(23(2)21)17(14)13-25-19-11-12-24(22-19)16-9-7-15(20)8-10-16/h3-12H,1,13,21H2,2H3.
What are the key properties of 1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-ethenylphenyl]-1-methylhydrazine?
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-ethenylphenyl]-1-methylhydrazine has a molecular weight of 354.84 g/mol, XLogP of 4.06, 6 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-ethenylphenyl]-1-methylhydrazine is sourced from PubChem (CID 155217759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).