3-(4-bromopyrazol-1-yl)-2-(2-methylphenyl)propan-1-amine

C13H16BrN3 — CID 115053208

IUPAC3-(4-bromopyrazol-1-yl)-2-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1C(CN)Cn1cc(Br)cn1
InChIInChI=1S/C13H16BrN3/c1-10-4-2-3-5-13(10)11(6-15)8-17-9-12(14)7-16-17/h2-5,7,9,11H,6,8,15H2,1H3
InChIKeyWEMGCQNCIMXFIN-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.70
Rot. Bonds4

About 3-(4-bromopyrazol-1-yl)-2-(2-methylphenyl)propan-1-amine

3-(4-bromopyrazol-1-yl)-2-(2-methylphenyl)propan-1-amine (PubChem CID 115053208) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-2-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-2-(2-methylphenyl)propan-1-amine
PubChem CID115053208
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name3-(4-bromopyrazol-1-yl)-2-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1C(CN)Cn1cc(Br)cn1
InChIInChI=1S/C13H16BrN3/c1-10-4-2-3-5-13(10)11(6-15)8-17-9-12(14)7-16-17/h2-5,7,9,11H,6,8,15H2,1H3
InChIKeyWEMGCQNCIMXFIN-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-2-(2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-2-(2-methylphenyl)propan-1-amine (CID 115053208) is 3-(4-bromopyrazol-1-yl)-2-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-2-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-2-(2-methylphenyl)propan-1-amine is Cc1ccccc1C(CN)Cn1cc(Br)cn1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-2-(2-methylphenyl)propan-1-amine?
The InChIKey is WEMGCQNCIMXFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-10-4-2-3-5-13(10)11(6-15)8-17-9-12(14)7-16-17/h2-5,7,9,11H,6,8,15H2,1H3.
What are the key properties of 3-(4-bromopyrazol-1-yl)-2-(2-methylphenyl)propan-1-amine?
3-(4-bromopyrazol-1-yl)-2-(2-methylphenyl)propan-1-amine has a molecular weight of 294.20 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-2-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 115053208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).