N-[1-(2-bromofuran-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine

C15H22BrN3O — CID 106857811

IUPACN-[1-(2-bromofuran-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C(C)C)n1)c1ccoc1Br
InChIInChI=1S/C15H22BrN3O/c1-4-7-17-14(13-6-9-20-15(13)16)10-12-5-8-19(18-12)11(2)3/h5-6,8-9,11,14,17H,4,7,10H2,1-3H3
InChIKeyMZSXWERUOZJLEX-UHFFFAOYSA-N
MW340.27 g/mol
LogP4.10
Rot. Bonds7

About N-[1-(2-bromofuran-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine

N-[1-(2-bromofuran-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 106857811) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is N-[1-(2-bromofuran-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromofuran-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID106857811
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC NameN-[1-(2-bromofuran-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C(C)C)n1)c1ccoc1Br
InChIInChI=1S/C15H22BrN3O/c1-4-7-17-14(13-6-9-20-15(13)16)10-12-5-8-19(18-12)11(2)3/h5-6,8-9,11,14,17H,4,7,10H2,1-3H3
InChIKeyMZSXWERUOZJLEX-UHFFFAOYSA-N
XLogP4.10
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 114878605
N-[1-(2-bromofuran-3-yl)-2-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine
CID 106858001
N-[1-(2-bromofuran-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 106857947
N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 106854675
1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine
CID 106858445
1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64771198
1-(2-bromofuran-3-yl)-N-propylhexan-1-amine
CID 106857248
N-[2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 64770855
N-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990155
N-[1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 106854725
N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine
CID 106858311
1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine
CID 106856969

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromofuran-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-bromofuran-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine (CID 106857811) is N-[1-(2-bromofuran-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-bromofuran-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-bromofuran-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccn(C(C)C)n1)c1ccoc1Br.
What is the InChIKey of N-[1-(2-bromofuran-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is MZSXWERUOZJLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-4-7-17-14(13-6-9-20-15(13)16)10-12-5-8-19(18-12)11(2)3/h5-6,8-9,11,14,17H,4,7,10H2,1-3H3.
What are the key properties of N-[1-(2-bromofuran-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine?
N-[1-(2-bromofuran-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 340.27 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromofuran-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106857811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).