1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine

C14H14BrN3O — CID 114651287

IUPAC1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1cc2ccccc2o1)c1c(Br)cnn1C
InChIInChI=1S/C14H14BrN3O/c1-16-13(14-10(15)8-17-18(14)2)12-7-9-5-3-4-6-11(9)19-12/h3-8,13,16H,1-2H3
InChIKeySWUOMSCVKQQPCK-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.24
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine

1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 114651287) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
PubChem CID114651287
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1cc2ccccc2o1)c1c(Br)cnn1C
InChIInChI=1S/C14H14BrN3O/c1-16-13(14-10(15)8-17-18(14)2)12-7-9-5-3-4-6-11(9)19-12/h3-8,13,16H,1-2H3
InChIKeySWUOMSCVKQQPCK-UHFFFAOYSA-N
XLogP3.24
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105189766
1-(1-benzofuran-2-yl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114651275
1-benzofuran-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanol
CID 114635081
N-[(4-bromo-1-methylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105189738
1-(1-benzofuran-2-yl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114651271
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 105054025
1-(1-benzofuran-2-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 105184868
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 114651360
1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
CID 106645563
1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105054077
[(4-bromo-1-methylpyrazol-5-yl)-naphthalen-2-ylmethyl]hydrazine
CID 105213396
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114660762

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine (CID 114651287) is 1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine is CNC(c1cc2ccccc2o1)c1c(Br)cnn1C.
What is the InChIKey of 1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is SWUOMSCVKQQPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-16-13(14-10(15)8-17-18(14)2)12-7-9-5-3-4-6-11(9)19-12/h3-8,13,16H,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine?
1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 320.19 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 114651287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).