1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine

C15H28BrN3O — CID 114661534

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1c(Br)cnn1C(C)C)C(C)(C)OCC
InChIInChI=1S/C15H28BrN3O/c1-7-9-17-14(15(5,6)20-8-2)13-12(16)10-18-19(13)11(3)4/h10-11,14,17H,7-9H2,1-6H3
InChIKeyRFKHOGHEOHBFCT-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.08
Rot. Bonds8

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine (PubChem CID 114661534) has the molecular formula C15H28BrN3O and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
PubChem CID114661534
Molecular FormulaC15H28BrN3O
Molecular Weight346.31 g/mol
Exact Mass345.14
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1c(Br)cnn1C(C)C)C(C)(C)OCC
InChIInChI=1S/C15H28BrN3O/c1-7-9-17-14(15(5,6)20-8-2)13-12(16)10-18-19(13)11(3)4/h10-11,14,17H,7-9H2,1-6H3
InChIKeyRFKHOGHEOHBFCT-UHFFFAOYSA-N
XLogP4.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 114648745
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 105042087
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine
CID 114659833
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 114646986
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 114655928
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chlorophenyl)methyl]propan-1-amine
CID 114646362
N-[6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine
CID 105042082
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106830600
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 114659314
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105183873
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]propan-1-amine
CID 114658484
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-ol
CID 114644662

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine (CID 114661534) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine is CCCNC(c1c(Br)cnn1C(C)C)C(C)(C)OCC.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine?
The InChIKey is RFKHOGHEOHBFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrN3O/c1-7-9-17-14(15(5,6)20-8-2)13-12(16)10-18-19(13)11(3)4/h10-11,14,17H,7-9H2,1-6H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine has a molecular weight of 346.31 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 114661534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).