1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine

C10H15BrF3N3 — CID 114648474

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
SMILESCCNC(CC(F)(F)F)c1c(Br)cnn1CC
InChIInChI=1S/C10H15BrF3N3/c1-3-15-8(5-10(12,13)14)9-7(11)6-16-17(9)4-2/h6,8,15H,3-5H2,1-2H3
InChIKeyZFHJHCIJEBCOKX-UHFFFAOYSA-N
MW314.15 g/mol
LogP3.27
Rot. Bonds5

About 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine

1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine (PubChem CID 114648474) has the molecular formula C10H15BrF3N3 and a molecular weight of 314.15 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
PubChem CID114648474
Molecular FormulaC10H15BrF3N3
Molecular Weight314.15 g/mol
Exact Mass313.04
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
SMILESCCNC(CC(F)(F)F)c1c(Br)cnn1CC
InChIInChI=1S/C10H15BrF3N3/c1-3-15-8(5-10(12,13)14)9-7(11)6-16-17(9)4-2/h6,8,15H,3-5H2,1-2H3
InChIKeyZFHJHCIJEBCOKX-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648482
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine
CID 114647076
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 114648950
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105040348
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648480
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 114647661
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 114658002
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477762
N-[1-(4-bromo-1-ethylpyrazol-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 103517116
1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanyl-N-ethylethanamine
CID 114653804
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2-fluorophenyl)methyl]ethanamine
CID 114650671
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648475

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine (CID 114648474) is 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine is CCNC(CC(F)(F)F)c1c(Br)cnn1CC.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
The InChIKey is ZFHJHCIJEBCOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrF3N3/c1-3-15-8(5-10(12,13)14)9-7(11)6-16-17(9)4-2/h6,8,15H,3-5H2,1-2H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine has a molecular weight of 314.15 g/mol, XLogP of 3.27, 5 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-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 114648474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).