1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]phenyl]-3,5-dimethylpyrazole

C19H26N2O3 — CID 167447587

IUPAC1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]phenyl]-3,5-dimethylpyrazole
SMILESC=C(COc1ccc(-n2nc(C)cc2C)cc1OC)OC(C)(C)C
InChIInChI=1S/C19H26N2O3/c1-13-10-14(2)21(20-13)16-8-9-17(18(11-16)22-7)23-12-15(3)24-19(4,5)6/h8-11H,3,12H2,1-2,4-7H3
InChIKeyIWKASPSOQPTWME-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.21
Rot. Bonds6

About 1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]phenyl]-3,5-dimethylpyrazole

1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]phenyl]-3,5-dimethylpyrazole (PubChem CID 167447587) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]phenyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]phenyl]-3,5-dimethylpyrazole
PubChem CID167447587
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]phenyl]-3,5-dimethylpyrazole
SMILESC=C(COc1ccc(-n2nc(C)cc2C)cc1OC)OC(C)(C)C
InChIInChI=1S/C19H26N2O3/c1-13-10-14(2)21(20-13)16-8-9-17(18(11-16)22-7)23-12-15(3)24-19(4,5)6/h8-11H,3,12H2,1-2,4-7H3
InChIKeyIWKASPSOQPTWME-UHFFFAOYSA-N
XLogP4.21
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]phenyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]phenyl]-3,5-dimethylpyrazole (CID 167447587) is 1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]phenyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]phenyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]phenyl]-3,5-dimethylpyrazole is C=C(COc1ccc(-n2nc(C)cc2C)cc1OC)OC(C)(C)C.
What is the InChIKey of 1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]phenyl]-3,5-dimethylpyrazole?
The InChIKey is IWKASPSOQPTWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13-10-14(2)21(20-13)16-8-9-17(18(11-16)22-7)23-12-15(3)24-19(4,5)6/h8-11H,3,12H2,1-2,4-7H3.
What are the key properties of 1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]phenyl]-3,5-dimethylpyrazole?
1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]phenyl]-3,5-dimethylpyrazole has a molecular weight of 330.43 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]prop-2-enoxy]phenyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 167447587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).