1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine

C15H27BrN4O — CID 114656870

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine
SMILESCCn1ncc(Br)c1C(NC)C(C)(CC)N1CCOCC1
InChIInChI=1S/C15H27BrN4O/c1-5-15(3,19-7-9-21-10-8-19)14(17-4)13-12(16)11-18-20(13)6-2/h11,14,17H,5-10H2,1-4H3
InChIKeyDGBTVVKUWFFKGV-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.43
Rot. Bonds6

About 1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine

1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine (PubChem CID 114656870) has the molecular formula C15H27BrN4O and a molecular weight of 359.31 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine
PubChem CID114656870
Molecular FormulaC15H27BrN4O
Molecular Weight359.31 g/mol
Exact Mass358.14
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine
SMILESCCn1ncc(Br)c1C(NC)C(C)(CC)N1CCOCC1
InChIInChI=1S/C15H27BrN4O/c1-5-15(3,19-7-9-21-10-8-19)14(17-4)13-12(16)11-18-20(13)6-2/h11,14,17H,5-10H2,1-4H3
InChIKeyDGBTVVKUWFFKGV-UHFFFAOYSA-N
XLogP2.43
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 114656867
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114656813
N,2-dimethyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 79057876
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 114656862
1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine
CID 114648216
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 105336270
N-ethyl-2-methyl-2-morpholin-4-yl-1-pyrimidin-5-ylbutan-1-amine
CID 79064967
1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine
CID 104802978
1-(3-chlorophenyl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine
CID 79065335
1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 114656691
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 106462644
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
CID 105182833

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine (CID 114656870) is 1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine is CCn1ncc(Br)c1C(NC)C(C)(CC)N1CCOCC1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine?
The InChIKey is DGBTVVKUWFFKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN4O/c1-5-15(3,19-7-9-21-10-8-19)14(17-4)13-12(16)11-18-20(13)6-2/h11,14,17H,5-10H2,1-4H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine?
1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine has a molecular weight of 359.31 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine is sourced from PubChem (CID 114656870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).