1-(3-bromofuran-2-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine

C11H14BrN3O — CID 105150503

IUPAC1-(3-bromofuran-2-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
SMILESCNC(c1cnn(C)c1C)c1occc1Br
InChIInChI=1S/C11H14BrN3O/c1-7-8(6-14-15(7)3)10(13-2)11-9(12)4-5-16-11/h4-6,10,13H,1-3H3
InChIKeyUYBVBGGTHXFPKD-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.39
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine

1-(3-bromofuran-2-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 105150503) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
PubChem CID105150503
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name1-(3-bromofuran-2-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
SMILESCNC(c1cnn(C)c1C)c1occc1Br
InChIInChI=1S/C11H14BrN3O/c1-7-8(6-14-15(7)3)10(13-2)11-9(12)4-5-16-11/h4-6,10,13H,1-3H3
InChIKeyUYBVBGGTHXFPKD-UHFFFAOYSA-N
XLogP2.39
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114660762
1-(4-bromo-1-propylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 105183464
1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 105149342
1-(5-bromo-2-fluorophenyl)-1-(3-bromofuran-2-yl)-N-methylmethanamine
CID 114894776
1-(3-bromofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 63942858
1-(3-bromofuran-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755358
1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 115861591
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795
1-(3-bromofuran-2-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105150465
1-(3-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 64714519
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114660754
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 105149963

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine (CID 105150503) is 1-(3-bromofuran-2-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine is CNC(c1cnn(C)c1C)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is UYBVBGGTHXFPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-7-8(6-14-15(7)3)10(13-2)11-9(12)4-5-16-11/h4-6,10,13H,1-3H3.
What are the key properties of 1-(3-bromofuran-2-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine?
1-(3-bromofuran-2-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 284.16 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 105150503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).