methyl N-[2-[[3-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate

C19H18ClN3O4 — CID 170331313

IUPACmethyl N-[2-[[3-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate
SMILESCOC(=O)N(OC)c1ccccc1COC1(c2ccc(Cl)cc2)C=CN=N1
InChIInChI=1S/C19H18ClN3O4/c1-25-18(24)23(26-2)17-6-4-3-5-14(17)13-27-19(11-12-21-22-19)15-7-9-16(20)10-8-15/h3-12H,13H2,1-2H3
InChIKeyOUXDXRVTVQNZLW-UHFFFAOYSA-N
MW387.82 g/mol
LogP4.82
Rot. Bonds6

About methyl N-[2-[[3-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate

methyl N-[2-[[3-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate (PubChem CID 170331313) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is methyl N-[2-[[3-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate.

Molecular Properties

Compound Namemethyl N-[2-[[3-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate
PubChem CID170331313
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Namemethyl N-[2-[[3-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate
SMILESCOC(=O)N(OC)c1ccccc1COC1(c2ccc(Cl)cc2)C=CN=N1
InChIInChI=1S/C19H18ClN3O4/c1-25-18(24)23(26-2)17-6-4-3-5-14(17)13-27-19(11-12-21-22-19)15-7-9-16(20)10-8-15/h3-12H,13H2,1-2H3
InChIKeyOUXDXRVTVQNZLW-UHFFFAOYSA-N
XLogP4.82
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[3-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate?
The IUPAC name of methyl N-[2-[[3-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate (CID 170331313) is methyl N-[2-[[3-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate.
What is the SMILES notation for methyl N-[2-[[3-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate?
The canonical SMILES for methyl N-[2-[[3-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate is COC(=O)N(OC)c1ccccc1COC1(c2ccc(Cl)cc2)C=CN=N1.
What is the InChIKey of methyl N-[2-[[3-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate?
The InChIKey is OUXDXRVTVQNZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-25-18(24)23(26-2)17-6-4-3-5-14(17)13-27-19(11-12-21-22-19)15-7-9-16(20)10-8-15/h3-12H,13H2,1-2H3.
What are the key properties of methyl N-[2-[[3-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate?
methyl N-[2-[[3-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate has a molecular weight of 387.82 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[3-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate is sourced from PubChem (CID 170331313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).