2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methylbutanehydrazide

C10H17BrN4O — CID 63579772

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methylbutanehydrazide
SMILESCc1nn(C(C(=O)NN)C(C)C)c(C)c1Br
InChIInChI=1S/C10H17BrN4O/c1-5(2)9(10(16)13-12)15-7(4)8(11)6(3)14-15/h5,9H,12H2,1-4H3,(H,13,16)
InChIKeyNPNMMQCVVFPORX-UHFFFAOYSA-N
MW289.18 g/mol
LogP1.45
Rot. Bonds3

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methylbutanehydrazide

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methylbutanehydrazide (PubChem CID 63579772) has the molecular formula C10H17BrN4O and a molecular weight of 289.18 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methylbutanehydrazide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methylbutanehydrazide
PubChem CID63579772
Molecular FormulaC10H17BrN4O
Molecular Weight289.18 g/mol
Exact Mass288.06
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methylbutanehydrazide
SMILESCc1nn(C(C(=O)NN)C(C)C)c(C)c1Br
InChIInChI=1S/C10H17BrN4O/c1-5(2)9(10(16)13-12)15-7(4)8(11)6(3)14-15/h5,9H,12H2,1-4H3,(H,13,16)
InChIKeyNPNMMQCVVFPORX-UHFFFAOYSA-N
XLogP1.45
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methylbutanehydrazide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methylbutanehydrazide (CID 63579772) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methylbutanehydrazide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methylbutanehydrazide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methylbutanehydrazide is Cc1nn(C(C(=O)NN)C(C)C)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methylbutanehydrazide?
The InChIKey is NPNMMQCVVFPORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O/c1-5(2)9(10(16)13-12)15-7(4)8(11)6(3)14-15/h5,9H,12H2,1-4H3,(H,13,16).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methylbutanehydrazide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methylbutanehydrazide has a molecular weight of 289.18 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-methylbutanehydrazide is sourced from PubChem (CID 63579772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).