3-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

C13H16BrN3 — CID 115053225

IUPAC3-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCn1nccc1C(CCN)c1cccc(Br)c1
InChIInChI=1S/C13H16BrN3/c1-17-13(6-8-16-17)12(5-7-15)10-3-2-4-11(14)9-10/h2-4,6,8-9,12H,5,7,15H2,1H3
InChIKeyNEDNGAIPDLTNRT-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.66
Rot. Bonds4

About 3-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

3-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 115053225) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 3-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID115053225
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name3-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCn1nccc1C(CCN)c1cccc(Br)c1
InChIInChI=1S/C13H16BrN3/c1-17-13(6-8-16-17)12(5-7-15)10-3-2-4-11(14)9-10/h2-4,6,8-9,12H,5,7,15H2,1H3
InChIKeyNEDNGAIPDLTNRT-UHFFFAOYSA-N
XLogP2.66
TPSA43.84 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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 115046614
(3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 63977430
3-amino-1-(2-methylpyrazol-3-yl)propan-1-ol
CID 82595670
1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43673323
4-amino-2-(3-bromophenyl)butan-1-ol
CID 115045172
(3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 63963062
(2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 107945853
[3-(2-methylpropyl)phenyl]-(2-methylpyrazol-3-yl)methanamine
CID 105188165
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
1-bromo-3-[phenyl(thionitroso)methyl]benzene
CID 89290809
(2-bromo-6-fluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 114886847
[(4-bromophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105192289

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 115053225) is 3-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is Cn1nccc1C(CCN)c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is NEDNGAIPDLTNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-17-13(6-8-16-17)12(5-7-15)10-3-2-4-11(14)9-10/h2-4,6,8-9,12H,5,7,15H2,1H3.
What are the key properties of 3-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
3-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 294.20 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 115053225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).