1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

C15H20BrN3 — CID 107985060

IUPAC1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCc1cccc(C(N)Cc2ccn(C(C)C)n2)c1Br
InChIInChI=1S/C15H20BrN3/c1-10(2)19-8-7-12(18-19)9-14(17)13-6-4-5-11(3)15(13)16/h4-8,10,14H,9,17H2,1-3H3
InChIKeyYQHCKBSRXZKWKQ-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.78
Rot. Bonds4

About 1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 107985060) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID107985060
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCc1cccc(C(N)Cc2ccn(C(C)C)n2)c1Br
InChIInChI=1S/C15H20BrN3/c1-10(2)19-8-7-12(18-19)9-14(17)13-6-4-5-11(3)15(13)16/h4-8,10,14H,9,17H2,1-3H3
InChIKeyYQHCKBSRXZKWKQ-UHFFFAOYSA-N
XLogP3.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990024
1-(4-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 114906238
1-(2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770812
1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107975691
[1-(2-fluoro-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312794
1-(2-bromo-3-methylphenyl)-3-methylbutan-1-amine
CID 107984716
1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 106791641
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-3-methylphenyl)ethanamine
CID 107985117
1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104989989
1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772269
(1R)-1-(2-bromo-3-methylphenyl)ethanamine
CID 96955711
2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine
CID 64772979

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (CID 107985060) is 1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is Cc1cccc(C(N)Cc2ccn(C(C)C)n2)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is YQHCKBSRXZKWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-10(2)19-8-7-12(18-19)9-14(17)13-6-4-5-11(3)15(13)16/h4-8,10,14H,9,17H2,1-3H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 322.25 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 107985060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).