1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine

C15H20BrN3 — CID 114649591

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)cc(C)c1)c1c(Br)cnn1C
InChIInChI=1S/C15H20BrN3/c1-10-5-11(2)7-12(6-10)8-14(17-3)15-13(16)9-18-19(15)4/h5-7,9,14,17H,8H2,1-4H3
InChIKeyCKIOMWATTZURAN-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.30
Rot. Bonds4

About 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine

1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine (PubChem CID 114649591) 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)-2-(3,5-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
PubChem CID114649591
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)cc(C)c1)c1c(Br)cnn1C
InChIInChI=1S/C15H20BrN3/c1-10-5-11(2)7-12(6-10)8-14(17-3)15-13(16)9-18-19(15)4/h5-7,9,14,17H,8H2,1-4H3
InChIKeyCKIOMWATTZURAN-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 83840801
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 114648364
2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63960987
1-(4-bromo-1-methylpyrazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 114657995
2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687515
1-(4-bromo-1-methylpyrazol-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029500
1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 114657146
1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-bromophenyl)sulfanyl-N-methylethanamine
CID 114656027
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-bromophenyl)sulfanyl-N-methylethanamine
CID 114656359
1-(2-bromo-4-methylphenyl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105054077
[1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105203934
1-(4-bromo-1-methylpyrazol-5-yl)-3-(3-methylphenyl)propan-1-amine
CID 105189904

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine (CID 114649591) is 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine is CNC(Cc1cc(C)cc(C)c1)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine?
The InChIKey is CKIOMWATTZURAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-10-5-11(2)7-12(6-10)8-14(17-3)15-13(16)9-18-19(15)4/h5-7,9,14,17H,8H2,1-4H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine?
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine has a molecular weight of 322.25 g/mol, XLogP of 3.30, 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-methylpyrazol-5-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 114649591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).