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

C14H19Br2N3O — CID 105041198

IUPACN-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)o1)c1c(Br)cnn1CCC
InChIInChI=1S/C14H19Br2N3O/c1-3-7-17-13(11-5-6-12(16)20-11)14-10(15)9-18-19(14)8-4-2/h5-6,9,13,17H,3-4,7-8H2,1-2H3
InChIKeyHFZYUVVPGNIUGT-UHFFFAOYSA-N
MW405.13 g/mol
LogP4.50
Rot. Bonds7

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

N-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine (PubChem CID 105041198) has the molecular formula C14H19Br2N3O and a molecular weight of 405.13 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine
PubChem CID105041198
Molecular FormulaC14H19Br2N3O
Molecular Weight405.13 g/mol
Exact Mass402.99
IUPAC NameN-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)o1)c1c(Br)cnn1CCC
InChIInChI=1S/C14H19Br2N3O/c1-3-7-17-13(11-5-6-12(16)20-11)14-10(15)9-18-19(14)8-4-2/h5-6,9,13,17H,3-4,7-8H2,1-2H3
InChIKeyHFZYUVVPGNIUGT-UHFFFAOYSA-N
XLogP4.50
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.13
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromofuran-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042736
N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine
CID 114647831
N-[(4-bromo-1-propylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114654562
N-[(4-bromo-1-methylpyrazol-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 105054251
[(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine
CID 105336675
N-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105183524
N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105183476
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 105041390
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444915
1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105041187
1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 114648750
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 114646982

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine (CID 105041198) is N-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine is CCCNC(c1ccc(Br)o1)c1c(Br)cnn1CCC.
What is the InChIKey of N-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine?
The InChIKey is HFZYUVVPGNIUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2N3O/c1-3-7-17-13(11-5-6-12(16)20-11)14-10(15)9-18-19(14)8-4-2/h5-6,9,13,17H,3-4,7-8H2,1-2H3.
What are the key properties of N-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine?
N-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine has a molecular weight of 405.13 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105041198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).