N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine

C13H16BrN3 — CID 104952489

IUPACN-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NC(C)c1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3/c1-9(11-4-6-12(14)7-5-11)15-13-8-17(3)16-10(13)2/h4-9,15H,1-3H3
InChIKeyWXYZDGZVJXRAEC-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.66
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine

N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine (PubChem CID 104952489) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine
PubChem CID104952489
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC NameN-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NC(C)c1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3/c1-9(11-4-6-12(14)7-5-11)15-13-8-17(3)16-10(13)2/h4-9,15H,1-3H3
InChIKeyWXYZDGZVJXRAEC-UHFFFAOYSA-N
XLogP3.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine
CID 104955918
1,3-dimethyl-N-[1-(4-propoxyphenyl)ethyl]pyrazol-4-amine
CID 104955808
[4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea
CID 104955781
(1S)-1-(4-bromophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 83088989
4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol
CID 102804235
3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
CID 104955799
2-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzene-1,4-diol
CID 102804046
4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 22209076
4-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)aniline
CID 65197070
2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol
CID 130502699
2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
CID 43683094
4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol
CID 107715487

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine (CID 104952489) is N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine is Cc1nn(C)cc1NC(C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine?
The InChIKey is WXYZDGZVJXRAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9(11-4-6-12(14)7-5-11)15-13-8-17(3)16-10(13)2/h4-9,15H,1-3H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine?
N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine has a molecular weight of 294.20 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 104952489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).