1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine

C15H20BrN3 — CID 105054099

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(NC)c1c(Br)cnn1C
InChIInChI=1S/C15H20BrN3/c1-4-12(11-8-6-5-7-9-11)14(17-2)15-13(16)10-18-19(15)3/h5-10,12,14,17H,4H2,1-3H3
InChIKeyYKTRCVGSEHXMEX-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.64
Rot. Bonds5

About 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine

1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine (PubChem CID 105054099) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
PubChem CID105054099
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(NC)c1c(Br)cnn1C
InChIInChI=1S/C15H20BrN3/c1-4-12(11-8-6-5-7-9-11)14(17-2)15-13(16)10-18-19(15)3/h5-10,12,14,17H,4H2,1-3H3
InChIKeyYKTRCVGSEHXMEX-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105342210
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
CID 105042151
[1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105336660
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105336192
1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 83840801
1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 80534954
[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethylbutyl]hydrazine
CID 105342070
1-(2-ethylpyrazol-3-yl)-N-methyl-2-phenylbutan-1-amine
CID 115858001
4-(4-bromo-1-methylpyrazol-5-yl)-4-phenylbutan-1-ol
CID 67958093
1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 106647998
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-phenylbutan-1-amine
CID 106464980
1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine
CID 105047114

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine (CID 105054099) is 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine is CCC(c1ccccc1)C(NC)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine?
The InChIKey is YKTRCVGSEHXMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-4-12(11-8-6-5-7-9-11)14(17-2)15-13(16)10-18-19(15)3/h5-10,12,14,17H,4H2,1-3H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine?
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine has a molecular weight of 322.25 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 105054099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).