1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

C13H16BrN3 — CID 43673323

IUPAC1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCC(NCc1ccnn1C)c1cccc(Br)c1
InChIInChI=1S/C13H16BrN3/c1-10(11-4-3-5-12(14)8-11)15-9-13-6-7-16-17(13)2/h3-8,10,15H,9H2,1-2H3
InChIKeyDMTAYVREMGPKPS-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.03
Rot. Bonds4

About 1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 43673323) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID43673323
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCC(NCc1ccnn1C)c1cccc(Br)c1
InChIInChI=1S/C13H16BrN3/c1-10(11-4-3-5-12(14)8-11)15-9-13-6-7-16-17(13)2/h3-8,10,15H,9H2,1-2H3
InChIKeyDMTAYVREMGPKPS-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663310
(1S)-1-(3-bromophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 81376018
(1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 79479907
1-(3,5-dimethylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 79479697
(1S)-1-(3-bromophenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81382188
1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43681733
(1R)-1-(3-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82865696
(1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 103001774
(1S)-1-(3-bromophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81380969
(1S)-1-(3-bromophenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 81381613
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 82885094
(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399075

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (CID 43673323) is 1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is CC(NCc1ccnn1C)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is DMTAYVREMGPKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-10(11-4-3-5-12(14)8-11)15-9-13-6-7-16-17(13)2/h3-8,10,15H,9H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 294.20 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 43673323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).