N-[(5-bromofuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine

C10H12BrN3O — CID 82882116

IUPACN-[(5-bromofuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(CNCc2ccc(Br)o2)n1
InChIInChI=1S/C10H12BrN3O/c1-14-5-4-8(13-14)6-12-7-9-2-3-10(11)15-9/h2-5,12H,6-7H2,1H3
InChIKeyBUBGUDMGPVDPPJ-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.07
Rot. Bonds4

About N-[(5-bromofuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine

N-[(5-bromofuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine (PubChem CID 82882116) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
PubChem CID82882116
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(CNCc2ccc(Br)o2)n1
InChIInChI=1S/C10H12BrN3O/c1-14-5-4-8(13-14)6-12-7-9-2-3-10(11)15-9/h2-5,12H,6-7H2,1H3
InChIKeyBUBGUDMGPVDPPJ-UHFFFAOYSA-N
XLogP2.07
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethylfuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882280
N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104627021
[5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]furan-2-yl]methanol
CID 104626918
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
4-bromo-N-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 106844741
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122166525
1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618962
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 106263665
N-[(5-bromo-2-fluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78920760
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78943295

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine (CID 82882116) is N-[(5-bromofuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine is Cn1ccc(CNCc2ccc(Br)o2)n1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is BUBGUDMGPVDPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-14-5-4-8(13-14)6-12-7-9-2-3-10(11)15-9/h2-5,12H,6-7H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
N-[(5-bromofuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 270.13 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 82882116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).