1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine

C16H21BrFN3 — CID 114647437

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
SMILESCCCn1ncc(Br)c1C(Cc1ccc(F)cc1)NCC
InChIInChI=1S/C16H21BrFN3/c1-3-9-21-16(14(17)11-20-21)15(19-4-2)10-12-5-7-13(18)8-6-12/h5-8,11,15,19H,3-4,9-10H2,1-2H3
InChIKeyDDMCTISMWGIGEQ-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.09
Rot. Bonds7

About 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine

1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine (PubChem CID 114647437) has the molecular formula C16H21BrFN3 and a molecular weight of 354.27 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
PubChem CID114647437
Molecular FormulaC16H21BrFN3
Molecular Weight354.27 g/mol
Exact Mass353.09
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
SMILESCCCn1ncc(Br)c1C(Cc1ccc(F)cc1)NCC
InChIInChI=1S/C16H21BrFN3/c1-3-9-21-16(14(17)11-20-21)15(19-4-2)10-12-5-7-13(18)8-6-12/h5-8,11,15,19H,3-4,9-10H2,1-2H3
InChIKeyDDMCTISMWGIGEQ-UHFFFAOYSA-N
XLogP4.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 114642960
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114647443
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine
CID 114647076
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648482
1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine
CID 114656117
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105183576
1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanyl-N-ethylethanamine
CID 114653804
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-3-propoxypropan-1-amine
CID 105183470
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 114647467
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 114648950
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 114647431
N-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 114886433

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine (CID 114647437) is 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine is CCCn1ncc(Br)c1C(Cc1ccc(F)cc1)NCC.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine?
The InChIKey is DDMCTISMWGIGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFN3/c1-3-9-21-16(14(17)11-20-21)15(19-4-2)10-12-5-7-13(18)8-6-12/h5-8,11,15,19H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine?
1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine has a molecular weight of 354.27 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 114647437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).