1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine

C11H20BrN3 — CID 114647947

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1c(Br)cnn1C
InChIInChI=1S/C11H20BrN3/c1-4-6-10(13-7-5-2)11-9(12)8-14-15(11)3/h8,10,13H,4-7H2,1-3H3
InChIKeyXCXPGHNPIKDJLB-UHFFFAOYSA-N
MW274.21 g/mol
LogP3.02
Rot. Bonds6

About 1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine

1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine (PubChem CID 114647947) has the molecular formula C11H20BrN3 and a molecular weight of 274.21 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine
PubChem CID114647947
Molecular FormulaC11H20BrN3
Molecular Weight274.21 g/mol
Exact Mass273.08
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1c(Br)cnn1C
InChIInChI=1S/C11H20BrN3/c1-4-6-10(13-7-5-2)11-9(12)8-14-15(11)3/h8,10,13H,4-7H2,1-3H3
InChIKeyXCXPGHNPIKDJLB-UHFFFAOYSA-N
XLogP3.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105189818
1-(4-bromo-1-methylpyrazol-5-yl)butylhydrazine
CID 105202210
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine
CID 114655999
1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine
CID 105054370
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine
CID 114657465
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 114659633
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114647443
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 114660904
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-phenoxyethyl]propan-1-amine
CID 114649647
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 114659492
1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105053947
1-(4-bromo-1-propylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 114648750

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine (CID 114647947) is 1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine is CCCNC(CCC)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine?
The InChIKey is XCXPGHNPIKDJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3/c1-4-6-10(13-7-5-2)11-9(12)8-14-15(11)3/h8,10,13H,4-7H2,1-3H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine?
1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine has a molecular weight of 274.21 g/mol, XLogP of 3.02, 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)-N-propylbutan-1-amine is sourced from PubChem (CID 114647947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).