N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine

C14H17Br3N4 — CID 114660611

IUPACN-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ncc(Br)cc1Br)c1c(Br)cnn1C(C)C
InChIInChI=1S/C14H17Br3N4/c1-4-18-13(12-10(16)5-9(15)6-19-12)14-11(17)7-20-21(14)8(2)3/h5-8,13,18H,4H2,1-3H3
InChIKeyLQGHUOCSKHPZDD-UHFFFAOYSA-N
MW481.03 g/mol
LogP4.85
Rot. Bonds5

About N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine

N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine (PubChem CID 114660611) has the molecular formula C14H17Br3N4 and a molecular weight of 481.03 g/mol. Its IUPAC name is N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine
PubChem CID114660611
Molecular FormulaC14H17Br3N4
Molecular Weight481.03 g/mol
Exact Mass477.90
IUPAC NameN-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ncc(Br)cc1Br)c1c(Br)cnn1C(C)C
InChIInChI=1S/C14H17Br3N4/c1-4-18-13(12-10(16)5-9(15)6-19-12)14-11(17)7-20-21(14)8(2)3/h5-8,13,18H,4H2,1-3H3
InChIKeyLQGHUOCSKHPZDD-UHFFFAOYSA-N
XLogP4.85
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.03
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine
CID 114660608
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]ethanamine
CID 114659820
N-[(3-bromo-5-methylphenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 105042012
N-[(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine
CID 114660612
N-[(4-bromo-1-methylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]propan-1-amine
CID 114660620
N-[(3,5-dibromo-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 113398631
N-[(3-bromo-4-methylphenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 105042122
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105183842
1-(3,5-dibromo-2-pyridinyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114660600
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]ethanamine
CID 114660168
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-iodophenyl)methyl]ethanamine
CID 105042306
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 114651120

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine (CID 114660611) is N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine is CCNC(c1ncc(Br)cc1Br)c1c(Br)cnn1C(C)C.
What is the InChIKey of N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine?
The InChIKey is LQGHUOCSKHPZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br3N4/c1-4-18-13(12-10(16)5-9(15)6-19-12)14-11(17)7-20-21(14)8(2)3/h5-8,13,18H,4H2,1-3H3.
What are the key properties of N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine?
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine has a molecular weight of 481.03 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromo-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 114660611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).