1-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine

C15H19BrFN3O — CID 115952558

IUPAC1-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine
SMILESCCc1nn(C)c(COc2c(F)cccc2CNC)c1Br
InChIInChI=1S/C15H19BrFN3O/c1-4-12-14(16)13(20(3)19-12)9-21-15-10(8-18-2)6-5-7-11(15)17/h5-7,18H,4,8-9H2,1-3H3
InChIKeyFECQKUKIFLLGHP-UHFFFAOYSA-N
MW356.24 g/mol
LogP3.18
Rot. Bonds6

About 1-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine

1-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine (PubChem CID 115952558) has the molecular formula C15H19BrFN3O and a molecular weight of 356.24 g/mol. Its IUPAC name is 1-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine
PubChem CID115952558
Molecular FormulaC15H19BrFN3O
Molecular Weight356.24 g/mol
Exact Mass355.07
IUPAC Name1-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine
SMILESCCc1nn(C)c(COc2c(F)cccc2CNC)c1Br
InChIInChI=1S/C15H19BrFN3O/c1-4-12-14(16)13(20(3)19-12)9-21-15-10(8-18-2)6-5-7-11(15)17/h5-7,18H,4,8-9H2,1-3H3
InChIKeyFECQKUKIFLLGHP-UHFFFAOYSA-N
XLogP3.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608849
1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 104796464
1-[2-[(5-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 115952475
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanone
CID 114977949
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluoroaniline
CID 104831258
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-amine
CID 114833608
2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-chlorobenzoic acid
CID 115955859
1-[3-fluoro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608818
2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-3-fluorobenzaldehyde
CID 115955823
3-amino-2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzamide
CID 107873569
1-[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952144
N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine
CID 112608835

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine (CID 115952558) is 1-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine is CCc1nn(C)c(COc2c(F)cccc2CNC)c1Br.
What is the InChIKey of 1-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine?
The InChIKey is FECQKUKIFLLGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3O/c1-4-12-14(16)13(20(3)19-12)9-21-15-10(8-18-2)6-5-7-11(15)17/h5-7,18H,4,8-9H2,1-3H3.
What are the key properties of 1-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine?
1-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine has a molecular weight of 356.24 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 115952558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).