1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine

C15H27BrN4O — CID 114656867

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine
SMILESCCCn1ncc(Br)c1C(N)C(C)(CC)N1CCOCC1
InChIInChI=1S/C15H27BrN4O/c1-4-6-20-13(12(16)11-18-20)14(17)15(3,5-2)19-7-9-21-10-8-19/h11,14H,4-10,17H2,1-3H3
InChIKeyXLYUGJALGOLKPJ-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.56
Rot. Bonds6

About 1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine

1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine (PubChem CID 114656867) has the molecular formula C15H27BrN4O and a molecular weight of 359.31 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine
PubChem CID114656867
Molecular FormulaC15H27BrN4O
Molecular Weight359.31 g/mol
Exact Mass358.14
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine
SMILESCCCn1ncc(Br)c1C(N)C(C)(CC)N1CCOCC1
InChIInChI=1S/C15H27BrN4O/c1-4-6-20-13(12(16)11-18-20)14(17)15(3,5-2)19-7-9-21-10-8-19/h11,14H,4-10,17H2,1-3H3
InChIKeyXLYUGJALGOLKPJ-UHFFFAOYSA-N
XLogP2.56
TPSA56.31 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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114656813
2-methyl-2-morpholin-4-yl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 79065855
1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine
CID 114656870
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 114656862
1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 114656691
1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 114641102
(4-bromo-1-propylpyrazol-5-yl)-(4-ethoxyoxan-4-yl)methanamine
CID 114661903
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656621
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114656935
4-methyl-1-(1-methylpyrazol-4-yl)-4-morpholin-4-ylhexan-3-amine
CID 103011088
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 114644453
4-(4-bromo-1-propylpyrazol-5-yl)pentan-2-amine
CID 114664574

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine (CID 114656867) is 1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine is CCCn1ncc(Br)c1C(N)C(C)(CC)N1CCOCC1.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine?
The InChIKey is XLYUGJALGOLKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN4O/c1-4-6-20-13(12(16)11-18-20)14(17)15(3,5-2)19-7-9-21-10-8-19/h11,14H,4-10,17H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine?
1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine has a molecular weight of 359.31 g/mol, XLogP of 2.56, 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-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine is sourced from PubChem (CID 114656867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).