2-bromo-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide

C10H16BrN3O — CID 63302105

IUPAC2-bromo-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
SMILESCC(C)C(Br)C(=O)NCc1ccnn1C
InChIInChI=1S/C10H16BrN3O/c1-7(2)9(11)10(15)12-6-8-4-5-13-14(8)3/h4-5,7,9H,6H2,1-3H3,(H,12,15)
InChIKeyAVDKMBPLDPUTOP-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.46
Rot. Bonds4

About 2-bromo-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide

2-bromo-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide (PubChem CID 63302105) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
PubChem CID63302105
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name2-bromo-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
SMILESCC(C)C(Br)C(=O)NCc1ccnn1C
InChIInChI=1S/C10H16BrN3O/c1-7(2)9(11)10(15)12-6-8-4-5-13-14(8)3/h4-5,7,9H,6H2,1-3H3,(H,12,15)
InChIKeyAVDKMBPLDPUTOP-UHFFFAOYSA-N
XLogP1.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide?
The IUPAC name of 2-bromo-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide (CID 63302105) is 2-bromo-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide.
What is the SMILES notation for 2-bromo-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide?
The canonical SMILES for 2-bromo-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide is CC(C)C(Br)C(=O)NCc1ccnn1C.
What is the InChIKey of 2-bromo-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide?
The InChIKey is AVDKMBPLDPUTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-7(2)9(11)10(15)12-6-8-4-5-13-14(8)3/h4-5,7,9H,6H2,1-3H3,(H,12,15).
What are the key properties of 2-bromo-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide?
2-bromo-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide has a molecular weight of 274.16 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide is sourced from PubChem (CID 63302105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).