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

C14H26BrN5 — CID 114657765

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(Br)cnn1C)C1CN(C)CCN1C
InChIInChI=1S/C14H26BrN5/c1-5-6-16-13(14-11(15)9-17-20(14)4)12-10-18(2)7-8-19(12)3/h9,12-13,16H,5-8,10H2,1-4H3
InChIKeyGWGYAKSZBUIKMO-UHFFFAOYSA-N
MW344.30 g/mol
LogP1.47
Rot. Bonds5

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

N-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine (PubChem CID 114657765) has the molecular formula C14H26BrN5 and a molecular weight of 344.30 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
PubChem CID114657765
Molecular FormulaC14H26BrN5
Molecular Weight344.30 g/mol
Exact Mass343.14
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(Br)cnn1C)C1CN(C)CCN1C
InChIInChI=1S/C14H26BrN5/c1-5-6-16-13(14-11(15)9-17-20(14)4)12-10-18(2)7-8-19(12)3/h9,12-13,16H,5-8,10H2,1-4H3
InChIKeyGWGYAKSZBUIKMO-UHFFFAOYSA-N
XLogP1.47
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine with MolForge

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Related Compounds

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-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 114659633
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 114657756
N-[(1,4-dimethylpiperazin-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 79658946
(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methanol
CID 114644712
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649244
1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine
CID 114647947
1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 114659630
N-[(4-bromo-1-methylpyrazol-5-yl)-(3-methyl-1,4-dithian-2-yl)methyl]propan-1-amine
CID 114659560
N-[(5-bromo-3-methyltriazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 106462720
1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105053947
1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-N-propylpentan-1-amine
CID 105054370

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine (CID 114657765) is N-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine is CCCNC(c1c(Br)cnn1C)C1CN(C)CCN1C.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine?
The InChIKey is GWGYAKSZBUIKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrN5/c1-5-6-16-13(14-11(15)9-17-20(14)4)12-10-18(2)7-8-19(12)3/h9,12-13,16H,5-8,10H2,1-4H3.
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine?
N-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine has a molecular weight of 344.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114657765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).