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

C16H22BrN3O — CID 115952144

IUPAC1-[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
SMILESCCn1nc(C)c(Br)c1COc1c(C)cccc1CNC
InChIInChI=1S/C16H22BrN3O/c1-5-20-14(15(17)12(3)19-20)10-21-16-11(2)7-6-8-13(16)9-18-4/h6-8,18H,5,9-10H2,1-4H3
InChIKeyLIMYWPHNZOTQJF-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.58
Rot. Bonds6

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

1-[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine (PubChem CID 115952144) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 1-[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
PubChem CID115952144
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name1-[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
SMILESCCn1nc(C)c(Br)c1COc1c(C)cccc1CNC
InChIInChI=1S/C16H22BrN3O/c1-5-20-14(15(17)12(3)19-20)10-21-16-11(2)7-6-8-13(16)9-18-4/h6-8,18H,5,9-10H2,1-4H3
InChIKeyLIMYWPHNZOTQJF-UHFFFAOYSA-N
XLogP3.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952218
[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-chlorophenyl]methanamine
CID 115951898
N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 112608398
1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 112608449
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylindole
CID 116620195
1-[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62446745
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82724430
[3,5-dibromo-4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]methanamine
CID 107741444
1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-2-one
CID 115495376
2,6-dibromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]aniline
CID 107598752
1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952133
1-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 115952558

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine (CID 115952144) is 1-[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine is CCn1nc(C)c(Br)c1COc1c(C)cccc1CNC.
What is the InChIKey of 1-[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine?
The InChIKey is LIMYWPHNZOTQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-5-20-14(15(17)12(3)19-20)10-21-16-11(2)7-6-8-13(16)9-18-4/h6-8,18H,5,9-10H2,1-4H3.
What are the key properties of 1-[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine?
1-[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine has a molecular weight of 352.28 g/mol, XLogP of 3.58, 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-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 115952144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).