1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine

C15H20BrN3 — CID 114647076

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)c1c(Br)cnn1CC
InChIInChI=1S/C15H20BrN3/c1-3-17-14(10-12-8-6-5-7-9-12)15-13(16)11-18-19(15)4-2/h5-9,11,14,17H,3-4,10H2,1-2H3
InChIKeyUMWFDVAPNMDGEY-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.56
Rot. Bonds6

About 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine

1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine (PubChem CID 114647076) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine
PubChem CID114647076
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)c1c(Br)cnn1CC
InChIInChI=1S/C15H20BrN3/c1-3-17-14(10-12-8-6-5-7-9-12)15-13(16)11-18-19(15)4-2/h5-9,11,14,17H,3-4,10H2,1-2H3
InChIKeyUMWFDVAPNMDGEY-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 114648950
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 114647437
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 114649534
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 114647661
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648474
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 114662155
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 114648284
1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol
CID 67963767
1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine
CID 114648404
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2-fluorophenyl)methyl]ethanamine
CID 114650671
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine
CID 105085053

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine (CID 114647076) is 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine is CCNC(Cc1ccccc1)c1c(Br)cnn1CC.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine?
The InChIKey is UMWFDVAPNMDGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-3-17-14(10-12-8-6-5-7-9-12)15-13(16)11-18-19(15)4-2/h5-9,11,14,17H,3-4,10H2,1-2H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine?
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine has a molecular weight of 322.25 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine is sourced from PubChem (CID 114647076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).