1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-phenoxypropan-1-amine

C15H20BrN3O — CID 114646096

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-phenoxypropan-1-amine
SMILESCCn1ncc(Br)c1C(CCOc1ccccc1)NC
InChIInChI=1S/C15H20BrN3O/c1-3-19-15(13(16)11-18-19)14(17-2)9-10-20-12-7-5-4-6-8-12/h4-8,11,14,17H,3,9-10H2,1-2H3
InChIKeyZNMPHPVMALPFPE-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.40
Rot. Bonds7

About 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-phenoxypropan-1-amine

1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-phenoxypropan-1-amine (PubChem CID 114646096) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-phenoxypropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-phenoxypropan-1-amine
PubChem CID114646096
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-phenoxypropan-1-amine
SMILESCCn1ncc(Br)c1C(CCOc1ccccc1)NC
InChIInChI=1S/C15H20BrN3O/c1-3-19-15(13(16)11-18-19)14(17-2)9-10-20-12-7-5-4-6-8-12/h4-8,11,14,17H,3,9-10H2,1-2H3
InChIKeyZNMPHPVMALPFPE-UHFFFAOYSA-N
XLogP3.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxy-N-methylbutan-1-amine
CID 114653359
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylethanamine
CID 105182828
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-bromophenyl)sulfanyl-N-methylethanamine
CID 114656321
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine
CID 114649623
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine
CID 114647076
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 114649534
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethoxy-N-methylbutan-1-amine
CID 105184243
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 114648284
[1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxybutyl]hydrazine
CID 105225084
1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-chlorophenoxy)-N-methylethanamine
CID 105183559
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
CID 114648521

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-phenoxypropan-1-amine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-phenoxypropan-1-amine (CID 114646096) is 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-phenoxypropan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-phenoxypropan-1-amine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-phenoxypropan-1-amine is CCn1ncc(Br)c1C(CCOc1ccccc1)NC.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-phenoxypropan-1-amine?
The InChIKey is ZNMPHPVMALPFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-3-19-15(13(16)11-18-19)14(17-2)9-10-20-12-7-5-4-6-8-12/h4-8,11,14,17H,3,9-10H2,1-2H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-phenoxypropan-1-amine?
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-phenoxypropan-1-amine has a molecular weight of 338.25 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-phenoxypropan-1-amine is sourced from PubChem (CID 114646096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).