N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine

C14H24BrN3O — CID 62448997

IUPACN-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCc1nn(CC2CCC(CNC(C)C)O2)c(C)c1Br
InChIInChI=1S/C14H24BrN3O/c1-9(2)16-7-12-5-6-13(19-12)8-18-11(4)14(15)10(3)17-18/h9,12-13,16H,5-8H2,1-4H3
InChIKeyFLZCNIZDJBDYPG-UHFFFAOYSA-N
MW330.27 g/mol
LogP2.81
Rot. Bonds5

About N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine

N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine (PubChem CID 62448997) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine
PubChem CID62448997
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC NameN-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCc1nn(CC2CCC(CNC(C)C)O2)c(C)c1Br
InChIInChI=1S/C14H24BrN3O/c1-9(2)16-7-12-5-6-13(19-12)8-18-11(4)14(15)10(3)17-18/h9,12-13,16H,5-8H2,1-4H3
InChIKeyFLZCNIZDJBDYPG-UHFFFAOYSA-N
XLogP2.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine (CID 62448997) is N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine is Cc1nn(CC2CCC(CNC(C)C)O2)c(C)c1Br.
What is the InChIKey of N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine?
The InChIKey is FLZCNIZDJBDYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-9(2)16-7-12-5-6-13(19-12)8-18-11(4)14(15)10(3)17-18/h9,12-13,16H,5-8H2,1-4H3.
What are the key properties of N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine?
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 330.27 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62448997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).