1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine

C12H21BrN4O — CID 114656691

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCn1ncc(Br)c1C(N)C(C)(C)N1CCOCC1
InChIInChI=1S/C12H21BrN4O/c1-12(2,17-4-6-18-7-5-17)11(14)10-9(13)8-15-16(10)3/h8,11H,4-7,14H2,1-3H3
InChIKeyBLBYCYSWXBWMLT-UHFFFAOYSA-N
MW317.23 g/mol
LogP1.29
Rot. Bonds3

About 1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine

1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 114656691) has the molecular formula C12H21BrN4O and a molecular weight of 317.23 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine
PubChem CID114656691
Molecular FormulaC12H21BrN4O
Molecular Weight317.23 g/mol
Exact Mass316.09
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCn1ncc(Br)c1C(N)C(C)(C)N1CCOCC1
InChIInChI=1S/C12H21BrN4O/c1-12(2,17-4-6-18-7-5-17)11(14)10-9(13)8-15-16(10)3/h8,11H,4-7,14H2,1-3H3
InChIKeyBLBYCYSWXBWMLT-UHFFFAOYSA-N
XLogP1.29
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 114656694
1-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 114656867
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine
CID 130605081
1-(4-bromo-1-methylpyrazol-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 114656521
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656621
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 114656663
[1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropyl]hydrazine
CID 105240168
2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 130586355
2-methyl-2-morpholin-4-yl-1-phenylpropan-1-amine
CID 79051741
tert-butyl 3-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]morpholine-4-carboxylate
CID 103554501
1-(4-bromo-1-ethylpyrazol-5-yl)-N,2-dimethyl-2-morpholin-4-ylbutan-1-amine
CID 114656870
1-(1-ethylimidazol-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79051030

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine (CID 114656691) is 1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine is Cn1ncc(Br)c1C(N)C(C)(C)N1CCOCC1.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is BLBYCYSWXBWMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4O/c1-12(2,17-4-6-18-7-5-17)11(14)10-9(13)8-15-16(10)3/h8,11H,4-7,14H2,1-3H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine?
1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 317.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 114656691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).