1-methyl-1-[3-methyl-2-[[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine

C18H15F5N4O — CID 155217757

IUPAC1-methyl-1-[3-methyl-2-[[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine
SMILESCc1cccc(N(C)N)c1COc1ccn(-c2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C18H15F5N4O/c1-9-4-3-5-11(26(2)24)10(9)8-28-12-6-7-27(25-12)18-16(22)14(20)13(19)15(21)17(18)23/h3-7H,8,24H2,1-2H3
InChIKeyZQFGXCVGYRLVII-UHFFFAOYSA-N
MW398.34 g/mol
LogP3.77
Rot. Bonds5

About 1-methyl-1-[3-methyl-2-[[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine

1-methyl-1-[3-methyl-2-[[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine (PubChem CID 155217757) has the molecular formula C18H15F5N4O and a molecular weight of 398.34 g/mol. Its IUPAC name is 1-methyl-1-[3-methyl-2-[[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine.

Molecular Properties

Compound Name1-methyl-1-[3-methyl-2-[[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine
PubChem CID155217757
Molecular FormulaC18H15F5N4O
Molecular Weight398.34 g/mol
Exact Mass398.12
IUPAC Name1-methyl-1-[3-methyl-2-[[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine
SMILESCc1cccc(N(C)N)c1COc1ccn(-c2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C18H15F5N4O/c1-9-4-3-5-11(26(2)24)10(9)8-28-12-6-7-27(25-12)18-16(22)14(20)13(19)15(21)17(18)23/h3-7H,8,24H2,1-2H3
InChIKeyZQFGXCVGYRLVII-UHFFFAOYSA-N
XLogP3.77
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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-methyl-1-[3-methyl-2-[[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine?
The IUPAC name of 1-methyl-1-[3-methyl-2-[[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine (CID 155217757) is 1-methyl-1-[3-methyl-2-[[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine.
What is the SMILES notation for 1-methyl-1-[3-methyl-2-[[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine?
The canonical SMILES for 1-methyl-1-[3-methyl-2-[[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine is Cc1cccc(N(C)N)c1COc1ccn(-c2c(F)c(F)c(F)c(F)c2F)n1.
What is the InChIKey of 1-methyl-1-[3-methyl-2-[[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine?
The InChIKey is ZQFGXCVGYRLVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F5N4O/c1-9-4-3-5-11(26(2)24)10(9)8-28-12-6-7-27(25-12)18-16(22)14(20)13(19)15(21)17(18)23/h3-7H,8,24H2,1-2H3.
What are the key properties of 1-methyl-1-[3-methyl-2-[[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine?
1-methyl-1-[3-methyl-2-[[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine has a molecular weight of 398.34 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[3-methyl-2-[[1-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine is sourced from PubChem (CID 155217757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).