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

C13H23BrN4O — CID 114657225

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(Br)cnn1C)C1CN(C)CCO1
InChIInChI=1S/C13H23BrN4O/c1-4-5-15-12(11-9-17(2)6-7-19-11)13-10(14)8-16-18(13)3/h8,11-12,15H,4-7,9H2,1-3H3
InChIKeyVUEQTOWUFKUTNJ-UHFFFAOYSA-N
MW331.26 g/mol
LogP1.55
Rot. Bonds5

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

N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine (PubChem CID 114657225) has the molecular formula C13H23BrN4O and a molecular weight of 331.26 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
PubChem CID114657225
Molecular FormulaC13H23BrN4O
Molecular Weight331.26 g/mol
Exact Mass330.11
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(Br)cnn1C)C1CN(C)CCO1
InChIInChI=1S/C13H23BrN4O/c1-4-5-15-12(11-9-17(2)6-7-19-11)13-10(14)8-16-18(13)3/h8,11-12,15H,4-7,9H2,1-3H3
InChIKeyVUEQTOWUFKUTNJ-UHFFFAOYSA-N
XLogP1.55
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
CID 114657765
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 114657219
N-[(1-ethylpyrazol-4-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093371
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649244
N-[(4-methylmorpholin-2-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 79093764
N-[(4-methylmorpholin-2-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 79095155
N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092986
N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093560
(4-bromo-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanol
CID 114644622
1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine
CID 114647947
N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092700
N-[1-(4-bromo-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 114659633

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine (CID 114657225) is N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine is CCCNC(c1c(Br)cnn1C)C1CN(C)CCO1.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The InChIKey is VUEQTOWUFKUTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN4O/c1-4-5-15-12(11-9-17(2)6-7-19-11)13-10(14)8-16-18(13)3/h8,11-12,15H,4-7,9H2,1-3H3.
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine has a molecular weight of 331.26 g/mol, XLogP of 1.55, 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)-(4-methylmorpholin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114657225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).