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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)furan-2-carbohydrazide
CID 914321
5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furohydrazide
CID 931585
5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 3259634
5-bromo-N'-[(E)-(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]furan-2-carbohydrazide
CID 6880083
4-bromo-1-{[5-(1H-pyrazol-1-ylcarbonyl)-2-furyl]methyl}-1H-pyrazole
CID 892503
1-{5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}-4-(2-furoyl)piperazine
CID 3243739
1-{5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 4104826
5-[(4-bromopyrazol-1-yl)methyl]-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]furan-2-carboxamide
CID 6873479
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N'-[4-(dimethylamino)benzylidene]-2-furohydrazide
CID 6874059
5-((4-Chloro-1H-pyrazol-1-yl)methyl)furan-2-carbohydrazide
CID 921549
N'-(2-methylbenzylidene)-5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 5410818
N'-(4-bromobenzylidene)-5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 5433198

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).