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

C15H19BrClN3O — CID 105041705

IUPAC1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1OC)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C15H19BrClN3O/c1-9(2)20-15(12(17)8-19-20)14(18-3)11-6-5-10(16)7-13(11)21-4/h5-9,14,18H,1-4H3
InChIKeyHWQFFXBZBGUONV-UHFFFAOYSA-N
MW372.69 g/mol
LogP4.20
Rot. Bonds5

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

1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 105041705) has the molecular formula C15H19BrClN3O and a molecular weight of 372.69 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
PubChem CID105041705
Molecular FormulaC15H19BrClN3O
Molecular Weight372.69 g/mol
Exact Mass371.04
IUPAC Name1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1OC)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C15H19BrClN3O/c1-9(2)20-15(12(17)8-19-20)14(18-3)11-6-5-10(16)7-13(11)21-4/h5-9,14,18H,1-4H3
InChIKeyHWQFFXBZBGUONV-UHFFFAOYSA-N
XLogP4.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.69
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-2-methoxyphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042556
1-(2-bromo-5-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105041667
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 114659101
[(4-bromo-2-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339599
1-(2,4-dichlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105048264
1-(3-bromophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114647378
[(4-bromo-2-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336738
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine
CID 107946798
1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105006891
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107969116

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine (CID 105041705) is 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine is CNC(c1ccc(Br)cc1OC)c1c(Cl)cnn1C(C)C.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is HWQFFXBZBGUONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3O/c1-9(2)20-15(12(17)8-19-20)14(18-3)11-6-5-10(16)7-13(11)21-4/h5-9,14,18H,1-4H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 372.69 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105041705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).