1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine

C14H16Br3N3 — CID 107946798

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1Br)c1c(Br)cnn1C(C)C
InChIInChI=1S/C14H16Br3N3/c1-8(2)20-14(12(17)7-19-20)13(18-3)10-5-4-9(15)6-11(10)16/h4-8,13,18H,1-3H3
InChIKeyJYTQTYROUNKVSW-UHFFFAOYSA-N
MW466.02 g/mol
LogP5.06
Rot. Bonds4

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine (PubChem CID 107946798) has the molecular formula C14H16Br3N3 and a molecular weight of 466.02 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine
PubChem CID107946798
Molecular FormulaC14H16Br3N3
Molecular Weight466.02 g/mol
Exact Mass462.89
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1Br)c1c(Br)cnn1C(C)C
InChIInChI=1S/C14H16Br3N3/c1-8(2)20-14(12(17)7-19-20)13(18-3)10-5-4-9(15)6-11(10)16/h4-8,13,18H,1-3H3
InChIKeyJYTQTYROUNKVSW-UHFFFAOYSA-N
XLogP5.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.02
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 105042228
1-(4-bromo-2-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105041639
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 105042035
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-chloro-2,5-difluorophenyl)-N-methylmethanamine
CID 105042139
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
CID 107103095
1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105041705
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105183926
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 105042324
1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105054077
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105042170
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 105217795
1-(2-bromo-5-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105041667

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine (CID 107946798) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine is CNC(c1ccc(Br)cc1Br)c1c(Br)cnn1C(C)C.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine?
The InChIKey is JYTQTYROUNKVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br3N3/c1-8(2)20-14(12(17)7-19-20)13(18-3)10-5-4-9(15)6-11(10)16/h4-8,13,18H,1-3H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine has a molecular weight of 466.02 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine is sourced from PubChem (CID 107946798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).