1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

C14H17Br2N3 — CID 107975691

IUPAC1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCC(C)n1ccc(CC(N)c2cc(Br)cc(Br)c2)n1
InChIInChI=1S/C14H17Br2N3/c1-9(2)19-4-3-13(18-19)8-14(17)10-5-11(15)7-12(16)6-10/h3-7,9,14H,8,17H2,1-2H3
InChIKeyPWLXPAYAXUXKQG-UHFFFAOYSA-N
MW387.12 g/mol
LogP4.23
Rot. Bonds4

About 1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 107975691) has the molecular formula C14H17Br2N3 and a molecular weight of 387.12 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID107975691
Molecular FormulaC14H17Br2N3
Molecular Weight387.12 g/mol
Exact Mass384.98
IUPAC Name1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCC(C)n1ccc(CC(N)c2cc(Br)cc(Br)c2)n1
InChIInChI=1S/C14H17Br2N3/c1-9(2)19-4-3-13(18-19)8-14(17)10-5-11(15)7-12(16)6-10/h3-7,9,14H,8,17H2,1-2H3
InChIKeyPWLXPAYAXUXKQG-UHFFFAOYSA-N
XLogP4.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.12
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 114906238
2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine
CID 64772979
1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771008
1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 66424827
1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107985060
1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990024
1-(3-bromophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 66160983
2-(3-bromophenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 79443065
1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154827
1-(4-bromophenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771366
1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772269
2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 65431517

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (CID 107975691) is 1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is CC(C)n1ccc(CC(N)c2cc(Br)cc(Br)c2)n1.
What is the InChIKey of 1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is PWLXPAYAXUXKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2N3/c1-9(2)19-4-3-13(18-19)8-14(17)10-5-11(15)7-12(16)6-10/h3-7,9,14H,8,17H2,1-2H3.
What are the key properties of 1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 387.12 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 107975691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).