N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine

C15H28BrN5 — CID 114659633

IUPACN-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CN(C)CCN1C)c1c(Br)cnn1C
InChIInChI=1S/C15H28BrN5/c1-5-6-17-14(15-13(16)10-18-21(15)4)9-12-11-19(2)7-8-20(12)3/h10,12,14,17H,5-9,11H2,1-4H3
InChIKeyVIHWLKHFRSLWMI-UHFFFAOYSA-N
MW358.33 g/mol
LogP1.86
Rot. Bonds6

About N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine

N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine (PubChem CID 114659633) has the molecular formula C15H28BrN5 and a molecular weight of 358.33 g/mol. Its IUPAC name is N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
PubChem CID114659633
Molecular FormulaC15H28BrN5
Molecular Weight358.33 g/mol
Exact Mass357.15
IUPAC NameN-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CN(C)CCN1C)c1c(Br)cnn1C
InChIInChI=1S/C15H28BrN5/c1-5-6-17-14(15-13(16)10-18-21(15)4)9-12-11-19(2)7-8-20(12)3/h10,12,14,17H,5-9,11H2,1-4H3
InChIKeyVIHWLKHFRSLWMI-UHFFFAOYSA-N
XLogP1.86
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 114659630
1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine
CID 114647947
N-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
CID 114657765
N-[2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 115415600
N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 115415645
1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105189818
N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 115415598
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 114657225
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxyethyl]propan-1-amine
CID 114655999
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 114659608
N-[1-(2-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 115415648
N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 107360088

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine (CID 114659633) is N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine is CCCNC(CC1CN(C)CCN1C)c1c(Br)cnn1C.
What is the InChIKey of N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine?
The InChIKey is VIHWLKHFRSLWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrN5/c1-5-6-17-14(15-13(16)10-18-21(15)4)9-12-11-19(2)7-8-20(12)3/h10,12,14,17H,5-9,11H2,1-4H3.
What are the key properties of N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine?
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine has a molecular weight of 358.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114659633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).