N-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline

C17H16BrN3 — CID 60942760

IUPACN-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline
SMILESBrc1ccc(CNc2ccc(Cn3cccn3)cc2)cc1
InChIInChI=1S/C17H16BrN3/c18-16-6-2-14(3-7-16)12-19-17-8-4-15(5-9-17)13-21-11-1-10-20-21/h1-11,19H,12-13H2
InChIKeyKGOUCYCRAOACTE-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.31
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline

N-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline (PubChem CID 60942760) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline
PubChem CID60942760
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC NameN-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline
SMILESBrc1ccc(CNc2ccc(Cn3cccn3)cc2)cc1
InChIInChI=1S/C17H16BrN3/c18-16-6-2-14(3-7-16)12-19-17-8-4-15(5-9-17)13-21-11-1-10-20-21/h1-11,19H,12-13H2
InChIKeyKGOUCYCRAOACTE-UHFFFAOYSA-N
XLogP4.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline
CID 60942759
4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61171807
[5-[[4-(pyrazol-1-ylmethyl)anilino]methyl]furan-2-yl]methanol
CID 64591413
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline
CID 60937882
1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline
CID 71913521
N-[(5-bromothiophen-3-yl)methyl]-3-(pyrazol-1-ylmethyl)aniline
CID 43738885
1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole
CID 112573677
N-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline
CID 54863485
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
[4-(pyrazol-1-ylmethyl)phenyl]methanol
CID 16640562
N-[(3-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673352

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline (CID 60942760) is N-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline is Brc1ccc(CNc2ccc(Cn3cccn3)cc2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline?
The InChIKey is KGOUCYCRAOACTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c18-16-6-2-14(3-7-16)12-19-17-8-4-15(5-9-17)13-21-11-1-10-20-21/h1-11,19H,12-13H2.
What are the key properties of N-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline?
N-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline has a molecular weight of 342.24 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 60942760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).