1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine

C15H20BrN3 — CID 103009371

IUPAC1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCNC(CCc1cnn(C)c1)Cc1cccc(Br)c1
InChIInChI=1S/C15H20BrN3/c1-17-15(7-6-13-10-18-19(2)11-13)9-12-4-3-5-14(16)8-12/h3-5,8,10-11,15,17H,6-7,9H2,1-2H3
InChIKeyIAPAVSBIGQEXJE-UHFFFAOYSA-N
MW322.25 g/mol
LogP2.95
Rot. Bonds6

About 1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine

1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine (PubChem CID 103009371) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
PubChem CID103009371
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCNC(CCc1cnn(C)c1)Cc1cccc(Br)c1
InChIInChI=1S/C15H20BrN3/c1-17-15(7-6-13-10-18-19(2)11-13)9-12-4-3-5-14(16)8-12/h3-5,8,10-11,15,17H,6-7,9H2,1-2H3
InChIKeyIAPAVSBIGQEXJE-UHFFFAOYSA-N
XLogP2.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103009375
N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine
CID 62126117
4-[3-[(3-bromophenyl)methyl]-4-chlorobutyl]-1-methylpyrazole
CID 103018312
N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009789
2-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 66057828
1-(3-bromophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 63528467
N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103030182
1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103010345
N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103009586
[1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-yl]hydrazine
CID 103025657
1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62550846
4-[3-(bromomethyl)-4-(3-fluorophenyl)butyl]-1-methylpyrazole
CID 103018495

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine (CID 103009371) is 1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine is CNC(CCc1cnn(C)c1)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine?
The InChIKey is IAPAVSBIGQEXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-17-15(7-6-13-10-18-19(2)11-13)9-12-4-3-5-14(16)8-12/h3-5,8,10-11,15,17H,6-7,9H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine?
1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine has a molecular weight of 322.25 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine is sourced from PubChem (CID 103009371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).