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

C13H16BrN3 — CID 82865696

IUPAC(1R)-1-(3-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESC[C@@H](NCc1ccn(C)n1)c1cccc(Br)c1
InChIInChI=1S/C13H16BrN3/c1-10(11-4-3-5-12(14)8-11)15-9-13-6-7-17(2)16-13/h3-8,10,15H,9H2,1-2H3/t10-/m1/s1
InChIKeyILSWFBLXNISAEO-SNVBAGLBSA-N
MW294.20 g/mol
LogP3.03
Rot. Bonds4

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

(1R)-1-(3-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 82865696) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is (1R)-1-(3-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID82865696
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name(1R)-1-(3-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESC[C@@H](NCc1ccn(C)n1)c1cccc(Br)c1
InChIInChI=1S/C13H16BrN3/c1-10(11-4-3-5-12(14)8-11)15-9-13-6-7-17(2)16-13/h3-8,10,15H,9H2,1-2H3/t10-/m1/s1
InChIKeyILSWFBLXNISAEO-SNVBAGLBSA-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

(1S)-1-(3-bromophenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 81381613
N-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine
CID 78921020
1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 107167630
(1R)-1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]ethanamine
CID 81381332
(1S)-1-(3-bromophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 81376018
(1R)-1-(3-bromophenyl)-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 83090492
1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43673323
N-[2-(3-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 82870237
(1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867137
(1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81382454
1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104626269
1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61323866

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(3-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine (CID 82865696) is (1R)-1-(3-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine is C[C@@H](NCc1ccn(C)n1)c1cccc(Br)c1.
What is the InChIKey of (1R)-1-(3-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is ILSWFBLXNISAEO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-10(11-4-3-5-12(14)8-11)15-9-13-6-7-17(2)16-13/h3-8,10,15H,9H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(3-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
(1R)-1-(3-bromophenyl)-N-[(1-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 (1R)-1-(3-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 82865696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).