1-[3-ethyl-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-1-methylhydrazine

C23H30N4O — CID 129109901

IUPAC1-[3-ethyl-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-1-methylhydrazine
SMILESCCc1cccc(N(C)N)c1COc1ccc(-c2nn(C)c(C)c2C)cc1C
InChIInChI=1S/C23H30N4O/c1-7-18-9-8-10-21(26(5)24)20(18)14-28-22-12-11-19(13-15(22)2)23-16(3)17(4)27(6)25-23/h8-13H,7,14,24H2,1-6H3
InChIKeySTUNOEMHWNVNCU-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.46
Rot. Bonds6

About 1-[3-ethyl-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-1-methylhydrazine

1-[3-ethyl-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-1-methylhydrazine (PubChem CID 129109901) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[3-ethyl-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[3-ethyl-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-1-methylhydrazine
PubChem CID129109901
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name1-[3-ethyl-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-1-methylhydrazine
SMILESCCc1cccc(N(C)N)c1COc1ccc(-c2nn(C)c(C)c2C)cc1C
InChIInChI=1S/C23H30N4O/c1-7-18-9-8-10-21(26(5)24)20(18)14-28-22-12-11-19(13-15(22)2)23-16(3)17(4)27(6)25-23/h8-13H,7,14,24H2,1-6H3
InChIKeySTUNOEMHWNVNCU-UHFFFAOYSA-N
XLogP4.46
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.46
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-[3-ethyl-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-1-methylhydrazine?
The IUPAC name of 1-[3-ethyl-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-1-methylhydrazine (CID 129109901) is 1-[3-ethyl-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[3-ethyl-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-1-methylhydrazine?
The canonical SMILES for 1-[3-ethyl-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-1-methylhydrazine is CCc1cccc(N(C)N)c1COc1ccc(-c2nn(C)c(C)c2C)cc1C.
What is the InChIKey of 1-[3-ethyl-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-1-methylhydrazine?
The InChIKey is STUNOEMHWNVNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-7-18-9-8-10-21(26(5)24)20(18)14-28-22-12-11-19(13-15(22)2)23-16(3)17(4)27(6)25-23/h8-13H,7,14,24H2,1-6H3.
What are the key properties of 1-[3-ethyl-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-1-methylhydrazine?
1-[3-ethyl-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-1-methylhydrazine has a molecular weight of 378.52 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-2-[[2-methyl-4-(1,4,5-trimethylpyrazol-3-yl)phenoxy]methyl]phenyl]-1-methylhydrazine is sourced from PubChem (CID 129109901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).