N-[1-(2-bromofuran-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine

C15H21BrClN3O — CID 106857947

IUPACN-[1-(2-bromofuran-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Cl)c(CC)nn1C)c1ccoc1Br
InChIInChI=1S/C15H21BrClN3O/c1-4-7-18-12(10-6-8-21-15(10)16)9-13-14(17)11(5-2)19-20(13)3/h6,8,12,18H,4-5,7,9H2,1-3H3
InChIKeyOKOBGXDJGBOVMC-UHFFFAOYSA-N
MW374.71 g/mol
LogP4.27
Rot. Bonds7

About N-[1-(2-bromofuran-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine

N-[1-(2-bromofuran-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine (PubChem CID 106857947) has the molecular formula C15H21BrClN3O and a molecular weight of 374.71 g/mol. Its IUPAC name is N-[1-(2-bromofuran-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromofuran-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
PubChem CID106857947
Molecular FormulaC15H21BrClN3O
Molecular Weight374.71 g/mol
Exact Mass373.06
IUPAC NameN-[1-(2-bromofuran-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Cl)c(CC)nn1C)c1ccoc1Br
InChIInChI=1S/C15H21BrClN3O/c1-4-7-18-12(10-6-8-21-15(10)16)9-13-14(17)11(5-2)19-20(13)3/h6,8,12,18H,4-5,7,9H2,1-3H3
InChIKeyOKOBGXDJGBOVMC-UHFFFAOYSA-N
XLogP4.27
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.71
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789867
N-[1-(5-bromothiophen-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 105159905
[1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethyl]hydrazine
CID 106860035
1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylethanamine
CID 106857916
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-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 106857811
1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 106886384
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(2-iodophenyl)ethanamine
CID 104998497
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-bromofuran-3-yl)ethanamine
CID 106857889
N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine
CID 106858502
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946154
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104998333

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromofuran-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-bromofuran-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine (CID 106857947) is N-[1-(2-bromofuran-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-bromofuran-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-bromofuran-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1c(Cl)c(CC)nn1C)c1ccoc1Br.
What is the InChIKey of N-[1-(2-bromofuran-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is OKOBGXDJGBOVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN3O/c1-4-7-18-12(10-6-8-21-15(10)16)9-13-14(17)11(5-2)19-20(13)3/h6,8,12,18H,4-5,7,9H2,1-3H3.
What are the key properties of N-[1-(2-bromofuran-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine?
N-[1-(2-bromofuran-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 374.71 g/mol, XLogP of 4.27, 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-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106857947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).