N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine

C11H15BrN4O — CID 81169910

IUPACN-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESCCc1nn(C)c(CNCc2ccon2)c1Br
InChIInChI=1S/C11H15BrN4O/c1-3-9-11(12)10(16(2)14-9)7-13-6-8-4-5-17-15-8/h4-5,13H,3,6-7H2,1-2H3
InChIKeyQJNHDVACJVXNGU-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.02
Rot. Bonds5

About N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine

N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine (PubChem CID 81169910) has the molecular formula C11H15BrN4O and a molecular weight of 299.17 g/mol. Its IUPAC name is N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
PubChem CID81169910
Molecular FormulaC11H15BrN4O
Molecular Weight299.17 g/mol
Exact Mass298.04
IUPAC NameN-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESCCc1nn(C)c(CNCc2ccon2)c1Br
InChIInChI=1S/C11H15BrN4O/c1-3-9-11(12)10(16(2)14-9)7-13-6-8-4-5-17-15-8/h4-5,13H,3,6-7H2,1-2H3
InChIKeyQJNHDVACJVXNGU-UHFFFAOYSA-N
XLogP2.02
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine (CID 81169910) is N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine is CCc1nn(C)c(CNCc2ccon2)c1Br.
What is the InChIKey of N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The InChIKey is QJNHDVACJVXNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O/c1-3-9-11(12)10(16(2)14-9)7-13-6-8-4-5-17-15-8/h4-5,13H,3,6-7H2,1-2H3.
What are the key properties of N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine has a molecular weight of 299.17 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 81169910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).