1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine

C14H18BrN3 — CID 114648404

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine
SMILESCCn1ncc(Br)c1C(N)CCc1ccccc1
InChIInChI=1S/C14H18BrN3/c1-2-18-14(12(15)10-17-18)13(16)9-8-11-6-4-3-5-7-11/h3-7,10,13H,2,8-9,16H2,1H3
InChIKeyLXSVOXFIUNJSSC-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.30
Rot. Bonds5

About 1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine

1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine (PubChem CID 114648404) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine
PubChem CID114648404
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine
SMILESCCn1ncc(Br)c1C(N)CCc1ccccc1
InChIInChI=1S/C14H18BrN3/c1-2-18-14(12(15)10-17-18)13(16)9-8-11-6-4-3-5-7-11/h3-7,10,13H,2,8-9,16H2,1H3
InChIKeyLXSVOXFIUNJSSC-UHFFFAOYSA-N
XLogP3.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-phenylpropan-1-amine
CID 114648417
1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol
CID 67963767
1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine
CID 114657499
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine
CID 114646510
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine
CID 105186612
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-pyridin-3-ylpropan-1-amine
CID 105184332
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine
CID 114647076
1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine
CID 114653621
1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148166
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105336192

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine (CID 114648404) is 1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine is CCn1ncc(Br)c1C(N)CCc1ccccc1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine?
The InChIKey is LXSVOXFIUNJSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-2-18-14(12(15)10-17-18)13(16)9-8-11-6-4-3-5-7-11/h3-7,10,13H,2,8-9,16H2,1H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine?
1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine has a molecular weight of 308.22 g/mol, XLogP of 3.30, 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)-3-phenylpropan-1-amine is sourced from PubChem (CID 114648404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).