1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine

C13H24BrN3 — CID 105053947

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1c(Br)cnn1C)C(C)C(C)C
InChIInChI=1S/C13H24BrN3/c1-6-7-15-12(10(4)9(2)3)13-11(14)8-16-17(13)5/h8-10,12,15H,6-7H2,1-5H3
InChIKeyZJSDBQOIMXNXQL-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.52
Rot. Bonds6

About 1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine

1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine (PubChem CID 105053947) has the molecular formula C13H24BrN3 and a molecular weight of 302.26 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
PubChem CID105053947
Molecular FormulaC13H24BrN3
Molecular Weight302.26 g/mol
Exact Mass301.12
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1c(Br)cnn1C)C(C)C(C)C
InChIInChI=1S/C13H24BrN3/c1-6-7-15-12(10(4)9(2)3)13-11(14)8-16-17(13)5/h8-10,12,15H,6-7H2,1-5H3
InChIKeyZJSDBQOIMXNXQL-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105041187
1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine
CID 105054370
1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine
CID 114647947
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine
CID 114655999
N-[1-(4-bromo-1-propylpyrazol-5-yl)ethyl]propan-1-amine
CID 114647831
N-[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 106858842
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047694
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649244
N-[(4-bromo-1-methylpyrazol-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 105054251
N-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
CID 114657765
N-[1-(4-bromo-1-ethylpyrazol-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 103517116
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 105043131

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine (CID 105053947) is 1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine is CCCNC(c1c(Br)cnn1C)C(C)C(C)C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is ZJSDBQOIMXNXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN3/c1-6-7-15-12(10(4)9(2)3)13-11(14)8-16-17(13)5/h8-10,12,15H,6-7H2,1-5H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine?
1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 302.26 g/mol, XLogP of 3.52, 6 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-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 105053947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).