5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline

C13H16BrN3 — CID 79579238

IUPAC5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
SMILESCc1ccc(Br)cc1NCc1cnn(C)c1C
InChIInChI=1S/C13H16BrN3/c1-9-4-5-12(14)6-13(9)15-7-11-8-16-17(3)10(11)2/h4-6,8,15H,7H2,1-3H3
InChIKeySFVAAJYCFGOYSG-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.41
Rot. Bonds3

About 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline

5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline (PubChem CID 79579238) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
PubChem CID79579238
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
SMILESCc1ccc(Br)cc1NCc1cnn(C)c1C
InChIInChI=1S/C13H16BrN3/c1-9-4-5-12(14)6-13(9)15-7-11-8-16-17(3)10(11)2/h4-6,8,15H,7H2,1-3H3
InChIKeySFVAAJYCFGOYSG-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoroaniline
CID 79579398
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79578438
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide
CID 79569576
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 79570692
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79578705
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 103846358
2-chloro-4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylbenzene-1,4-diamine
CID 114139123
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
CID 106035268
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline
CID 79579160
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-nitroaniline
CID 79579068
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline
CID 79578562
5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine
CID 106035477

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline?
The IUPAC name of 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline (CID 79579238) is 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline.
What is the SMILES notation for 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline?
The canonical SMILES for 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline is Cc1ccc(Br)cc1NCc1cnn(C)c1C.
What is the InChIKey of 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline?
The InChIKey is SFVAAJYCFGOYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9-4-5-12(14)6-13(9)15-7-11-8-16-17(3)10(11)2/h4-6,8,15H,7H2,1-3H3.
What are the key properties of 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline?
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline has a molecular weight of 294.20 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline is sourced from PubChem (CID 79579238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).