N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylaniline

C15H14BrN3O — CID 104652461

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylaniline
SMILESCC(Nc1ccccc1-n1cccn1)c1ccc(Br)o1
InChIInChI=1S/C15H14BrN3O/c1-11(14-7-8-15(16)20-14)18-12-5-2-3-6-13(12)19-10-4-9-17-19/h2-11,18H,1H3
InChIKeyMTVQMTGYRXEWPM-UHFFFAOYSA-N
MW332.20 g/mol
LogP4.40
Rot. Bonds4

About N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylaniline

N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylaniline (PubChem CID 104652461) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylaniline
PubChem CID104652461
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylaniline
SMILESCC(Nc1ccccc1-n1cccn1)c1ccc(Br)o1
InChIInChI=1S/C15H14BrN3O/c1-11(14-7-8-15(16)20-14)18-12-5-2-3-6-13(12)19-10-4-9-17-19/h2-11,18H,1H3
InChIKeyMTVQMTGYRXEWPM-UHFFFAOYSA-N
XLogP4.40
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-2-(triazol-1-yl)aniline
CID 104652315
N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylpyridin-3-amine
CID 104652628
N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline
CID 104652371
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline
CID 104652074
1-[2-[1-(5-bromofuran-2-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 104652182
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-pyrazol-1-ylaniline
CID 102976853
N-[1-(5-bromofuran-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline
CID 104652024
N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline
CID 62085905
N-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine
CID 104652980
N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline
CID 104652355
N-ethyl-1-(2-pyrazol-1-ylphenyl)ethanamine
CID 43284732
N-[1-(5-bromofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 104652406

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylaniline?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylaniline (CID 104652461) is N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylaniline.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylaniline?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylaniline is CC(Nc1ccccc1-n1cccn1)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylaniline?
The InChIKey is MTVQMTGYRXEWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-11(14-7-8-15(16)20-14)18-12-5-2-3-6-13(12)19-10-4-9-17-19/h2-11,18H,1H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylaniline?
N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylaniline has a molecular weight of 332.20 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrazol-1-ylaniline is sourced from PubChem (CID 104652461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).