1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3-chlorophenyl)propan-2-amine

C14H17BrClN3 — CID 55038610

IUPAC1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3-chlorophenyl)propan-2-amine
SMILESCc1nn(C(c2cccc(Cl)c2)C(C)N)c(C)c1Br
InChIInChI=1S/C14H17BrClN3/c1-8(17)14(11-5-4-6-12(16)7-11)19-10(3)13(15)9(2)18-19/h4-8,14H,17H2,1-3H3
InChIKeyAAIYBILEWQYZBV-UHFFFAOYSA-N
MW342.67 g/mol
LogP3.85
Rot. Bonds3

About 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3-chlorophenyl)propan-2-amine

1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3-chlorophenyl)propan-2-amine (PubChem CID 55038610) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3-chlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3-chlorophenyl)propan-2-amine
PubChem CID55038610
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC Name1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3-chlorophenyl)propan-2-amine
SMILESCc1nn(C(c2cccc(Cl)c2)C(C)N)c(C)c1Br
InChIInChI=1S/C14H17BrClN3/c1-8(17)14(11-5-4-6-12(16)7-11)19-10(3)13(15)9(2)18-19/h4-8,14H,17H2,1-3H3
InChIKeyAAIYBILEWQYZBV-UHFFFAOYSA-N
XLogP3.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(3-chlorophenyl)propyl]-1,2,4-triazole-3-carbonitrile
CID 62952201
4-bromo-1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128432
1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019304
1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine
CID 55019457
1-(3-bromophenyl)-1-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-amine
CID 55018433
1-(3-chlorophenyl)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine
CID 55019605
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-chlorophenyl)methanamine
CID 114646500
1-(3-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-2-amine
CID 62409941
1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine
CID 55019897
1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55019889

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3-chlorophenyl)propan-2-amine?
The IUPAC name of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3-chlorophenyl)propan-2-amine (CID 55038610) is 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3-chlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3-chlorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3-chlorophenyl)propan-2-amine is Cc1nn(C(c2cccc(Cl)c2)C(C)N)c(C)c1Br.
What is the InChIKey of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3-chlorophenyl)propan-2-amine?
The InChIKey is AAIYBILEWQYZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c1-8(17)14(11-5-4-6-12(16)7-11)19-10(3)13(15)9(2)18-19/h4-8,14H,17H2,1-3H3.
What are the key properties of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3-chlorophenyl)propan-2-amine?
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3-chlorophenyl)propan-2-amine has a molecular weight of 342.67 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(3-chlorophenyl)propan-2-amine is sourced from PubChem (CID 55038610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).