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

C12H15Br2N3O — CID 106858842

IUPACN-[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1Br)c1c(Br)cnn1C
InChIInChI=1S/C12H15Br2N3O/c1-3-5-15-10(8-4-6-18-12(8)14)11-9(13)7-16-17(11)2/h4,6-7,10,15H,3,5H2,1-2H3
InChIKeyRSZZQGHUCVMYEQ-UHFFFAOYSA-N
MW377.08 g/mol
LogP3.63
Rot. Bonds5

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

N-[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine (PubChem CID 106858842) has the molecular formula C12H15Br2N3O and a molecular weight of 377.08 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine
PubChem CID106858842
Molecular FormulaC12H15Br2N3O
Molecular Weight377.08 g/mol
Exact Mass374.96
IUPAC NameN-[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1Br)c1c(Br)cnn1C
InChIInChI=1S/C12H15Br2N3O/c1-3-5-15-10(8-4-6-18-12(8)14)11-9(13)7-16-17(11)2/h4,6-7,10,15H,3,5H2,1-2H3
InChIKeyRSZZQGHUCVMYEQ-UHFFFAOYSA-N
XLogP3.63
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.08
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-5-yl)-(2-bromofuran-3-yl)methyl]propan-1-amine
CID 106858618
[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]hydrazine
CID 106860278
N-[(2-bromofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 106857638
N-[(4-bromo-1-methylpyrazol-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 105054251
N-[(4-bromo-1-methylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]propan-1-amine
CID 103128352
N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 106693217
N-[(4-bromo-1-methylpyrazol-5-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 105054085
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 114646039
N-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 105054059
4-[(4-bromo-1-methylpyrazol-5-yl)-(propylamino)methyl]-N,N-dimethylaniline
CID 105189780
N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 106851675
N-[(4-bromo-1-methylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]propan-1-amine
CID 114660620

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine (CID 106858842) is N-[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine is CCCNC(c1ccoc1Br)c1c(Br)cnn1C.
What is the InChIKey of N-[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine?
The InChIKey is RSZZQGHUCVMYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2N3O/c1-3-5-15-10(8-4-6-18-12(8)14)11-9(13)7-16-17(11)2/h4,6-7,10,15H,3,5H2,1-2H3.
What are the key properties of N-[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine?
N-[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine has a molecular weight of 377.08 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 106858842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).