1-(4-bromo-2-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine

C15H19BrClN3 — CID 105041639

IUPAC1-(4-bromo-2-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1C)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C15H19BrClN3/c1-9(2)20-15(13(17)8-19-20)14(18-4)12-6-5-11(16)7-10(12)3/h5-9,14,18H,1-4H3
InChIKeyCMIRYGKQIUNLAN-UHFFFAOYSA-N
MW356.70 g/mol
LogP4.50
Rot. Bonds4

About 1-(4-bromo-2-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine

1-(4-bromo-2-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 105041639) has the molecular formula C15H19BrClN3 and a molecular weight of 356.70 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
PubChem CID105041639
Molecular FormulaC15H19BrClN3
Molecular Weight356.70 g/mol
Exact Mass355.05
IUPAC Name1-(4-bromo-2-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1C)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C15H19BrClN3/c1-9(2)20-15(13(17)8-19-20)14(18-4)12-6-5-11(16)7-10(12)3/h5-9,14,18H,1-4H3
InChIKeyCMIRYGKQIUNLAN-UHFFFAOYSA-N
XLogP4.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.70
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4-bromo-2-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336738
N-[(4-bromo-2-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 105041578
1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105041705
1-(2-bromo-5-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105041667
1-(3-bromophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114647378
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine
CID 107946798
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105041760
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107969116
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 105042228
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 107969110
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 114659101
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 114659073

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine (CID 105041639) is 1-(4-bromo-2-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine is CNC(c1ccc(Br)cc1C)c1c(Cl)cnn1C(C)C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is CMIRYGKQIUNLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3/c1-9(2)20-15(13(17)8-19-20)14(18-4)12-6-5-11(16)7-10(12)3/h5-9,14,18H,1-4H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
1-(4-bromo-2-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 356.70 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105041639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).