1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine

C11H14BrN3O — CID 114660762

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
SMILESCNC(c1occc1C)c1c(Br)cnn1C
InChIInChI=1S/C11H14BrN3O/c1-7-4-5-16-11(7)9(13-2)10-8(12)6-14-15(10)3/h4-6,9,13H,1-3H3
InChIKeyTTZMDZMTKGTGGZ-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.39
Rot. Bonds3

About 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine

1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine (PubChem CID 114660762) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
PubChem CID114660762
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
SMILESCNC(c1occc1C)c1c(Br)cnn1C
InChIInChI=1S/C11H14BrN3O/c1-7-4-5-16-11(7)9(13-2)10-8(12)6-14-15(10)3/h4-6,9,13H,1-3H3
InChIKeyTTZMDZMTKGTGGZ-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-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114660754
1-(3-bromofuran-2-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 105150503
[(4-chloro-1-methylpyrazol-5-yl)-(3-methylfuran-2-yl)methyl]hydrazine
CID 105269452
1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105054077
[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]hydrazine
CID 106860278
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine
CID 114028363
1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 114649394
2-[4-bromo-5-[ethylamino-(3-methylfuran-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114660779
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 105054025
1-(4-bromophenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43481001
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105189766
N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
CID 104805056

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine (CID 114660762) is 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine is CNC(c1occc1C)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
The InChIKey is TTZMDZMTKGTGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-7-4-5-16-11(7)9(13-2)10-8(12)6-14-15(10)3/h4-6,9,13H,1-3H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine?
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine 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-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 114660762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).