N-[(3-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine

C15H14BrN3S — CID 78943493

IUPACN-[(3-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
SMILESBrc1ccsc1CNCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H14BrN3S/c16-14-6-9-20-15(14)11-17-10-12-2-4-13(5-3-12)19-8-1-7-18-19/h1-9,17H,10-11H2
InChIKeyOACZDZHOYWNPIR-UHFFFAOYSA-N
MW348.27 g/mol
LogP3.99
Rot. Bonds5

About N-[(3-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine

N-[(3-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine (PubChem CID 78943493) has the molecular formula C15H14BrN3S and a molecular weight of 348.27 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
PubChem CID78943493
Molecular FormulaC15H14BrN3S
Molecular Weight348.27 g/mol
Exact Mass347.01
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
SMILESBrc1ccsc1CNCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H14BrN3S/c16-14-6-9-20-15(14)11-17-10-12-2-4-13(5-3-12)19-8-1-7-18-19/h1-9,17H,10-11H2
InChIKeyOACZDZHOYWNPIR-UHFFFAOYSA-N
XLogP3.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 61402147
N-[(5-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 61012027
N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43768777
N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43226678
3,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine
CID 115581160
N-[(3-bromothiophen-2-yl)methyl]-1-(3,4-dimethylphenyl)methanamine
CID 78943500
6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol
CID 103924243
N-[(3-bromothiophen-2-yl)methyl]-1-(3,5-dimethylphenyl)methanamine
CID 78943535
2-bromo-5-fluoro-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 107632988
N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide
CID 22205170
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol
CID 111104760

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine (CID 78943493) is N-[(3-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine is Brc1ccsc1CNCc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine?
The InChIKey is OACZDZHOYWNPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3S/c16-14-6-9-20-15(14)11-17-10-12-2-4-13(5-3-12)19-8-1-7-18-19/h1-9,17H,10-11H2.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine?
N-[(3-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine has a molecular weight of 348.27 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine is sourced from PubChem (CID 78943493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).