N-[(4,5-dibromofuran-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

C11H13Br2N3O — CID 55032692

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCc1cc(Br)c(Br)o1
InChIInChI=1S/C11H13Br2N3O/c1-8(7-16-4-2-3-15-16)14-6-9-5-10(12)11(13)17-9/h2-5,8,14H,6-7H2,1H3
InChIKeyMUCJVOCUWPRTSF-UHFFFAOYSA-N
MW363.05 g/mol
LogP3.18
Rot. Bonds5

About N-[(4,5-dibromofuran-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

N-[(4,5-dibromofuran-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 55032692) has the molecular formula C11H13Br2N3O and a molecular weight of 363.05 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID55032692
Molecular FormulaC11H13Br2N3O
Molecular Weight363.05 g/mol
Exact Mass360.94
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCc1cc(Br)c(Br)o1
InChIInChI=1S/C11H13Br2N3O/c1-8(7-16-4-2-3-15-16)14-6-9-5-10(12)11(13)17-9/h2-5,8,14H,6-7H2,1H3
InChIKeyMUCJVOCUWPRTSF-UHFFFAOYSA-N
XLogP3.18
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.05
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine
CID 43749249
N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435020
N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78960327
(2R)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 94362537
methyl 5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]furan-3-carboxylate
CID 115616209
N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 66398766
1-pyrazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051559
N-[(4,5-dibromofuran-2-yl)methyl]-4-phenylbutan-2-amine
CID 62084806
(2R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95282283
3-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile
CID 43435005
(2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 95276861

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 55032692) is N-[(4,5-dibromofuran-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is CC(Cn1cccn1)NCc1cc(Br)c(Br)o1.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is MUCJVOCUWPRTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N3O/c1-8(7-16-4-2-3-15-16)14-6-9-5-10(12)11(13)17-9/h2-5,8,14H,6-7H2,1H3.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
N-[(4,5-dibromofuran-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 363.05 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 55032692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).