1-(3-bromofuran-2-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C13H18BrN3O — CID 105150465

IUPAC1-(3-bromofuran-2-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1c(C)nn(C)c1C)c1occc1Br
InChIInChI=1S/C13H18BrN3O/c1-8-10(9(2)17(4)16-8)7-12(15-3)13-11(14)5-6-18-13/h5-6,12,15H,7H2,1-4H3
InChIKeyYWDDIBBDPYAFPV-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.90
Rot. Bonds4

About 1-(3-bromofuran-2-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

1-(3-bromofuran-2-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 105150465) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID105150465
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name1-(3-bromofuran-2-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1c(C)nn(C)c1C)c1occc1Br
InChIInChI=1S/C13H18BrN3O/c1-8-10(9(2)17(4)16-8)7-12(15-3)13-11(14)5-6-18-13/h5-6,12,15H,7H2,1-4H3
InChIKeyYWDDIBBDPYAFPV-UHFFFAOYSA-N
XLogP2.90
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105189342
1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346309
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946702
1-(2-bromo-4-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylethanamine
CID 105034943
1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylethanamine
CID 106857916
1-(4-bromothiophen-2-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105139256
1-(2-bromo-4-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylethanamine
CID 107995113
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105336257
N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 103030452
1-(4-chlorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105085290
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105180440
1-(2-bromo-5-fluorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylethanamine
CID 105034877

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 105150465) is 1-(3-bromofuran-2-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is CNC(Cc1c(C)nn(C)c1C)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is YWDDIBBDPYAFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-8-10(9(2)17(4)16-8)7-12(15-3)13-11(14)5-6-18-13/h5-6,12,15H,7H2,1-4H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
1-(3-bromofuran-2-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 312.21 g/mol, XLogP of 2.90, 4 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)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105150465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).