5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbohydrazide

C9H9BrN4O2 — CID 840891

IUPAC5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C9H9BrN4O2/c10-6-3-12-14(4-6)5-7-1-2-8(16-7)9(15)13-11/h1-4H,5,11H2,(H,13,15)
InChIKeyISHGXMALNZXARL-UHFFFAOYSA-N
MW285.10 g/mol
LogP0.89
Rot. Bonds3

About 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbohydrazide

5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 840891) has the molecular formula C9H9BrN4O2 and a molecular weight of 285.10 g/mol. Its IUPAC name is 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbohydrazide
PubChem CID840891
Molecular FormulaC9H9BrN4O2
Molecular Weight285.10 g/mol
Exact Mass283.99
IUPAC Name5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C9H9BrN4O2/c10-6-3-12-14(4-6)5-7-1-2-8(16-7)9(15)13-11/h1-4H,5,11H2,(H,13,15)
InChIKeyISHGXMALNZXARL-UHFFFAOYSA-N
XLogP0.89
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbohydrazide (CID 840891) is 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbohydrazide is NNC(=O)c1ccc(Cn2cc(Br)cn2)o1.
What is the InChIKey of 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is ISHGXMALNZXARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O2/c10-6-3-12-14(4-6)5-7-1-2-8(16-7)9(15)13-11/h1-4H,5,11H2,(H,13,15).
What are the key properties of 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbohydrazide?
5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 285.10 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 840891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).