N'-chloro-4-fluoro-1-methylpyrazole-5-carbohydrazide

C5H6ClFN4O — CID 166903172

IUPACN'-chloro-4-fluoro-1-methylpyrazole-5-carbohydrazide
SMILESCn1ncc(F)c1C(=O)NNCl
InChIInChI=1S/C5H6ClFN4O/c1-11-4(3(7)2-8-11)5(12)9-10-6/h2,10H,1H3,(H,9,12)
InChIKeyZGCUBODYNUHXSK-UHFFFAOYSA-N
MW192.58 g/mol
LogP-0.05
Rot. Bonds2

About N'-chloro-4-fluoro-1-methylpyrazole-5-carbohydrazide

N'-chloro-4-fluoro-1-methylpyrazole-5-carbohydrazide (PubChem CID 166903172) has the molecular formula C5H6ClFN4O and a molecular weight of 192.58 g/mol. Its IUPAC name is N'-chloro-4-fluoro-1-methylpyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-chloro-4-fluoro-1-methylpyrazole-5-carbohydrazide
PubChem CID166903172
Molecular FormulaC5H6ClFN4O
Molecular Weight192.58 g/mol
Exact Mass192.02
IUPAC NameN'-chloro-4-fluoro-1-methylpyrazole-5-carbohydrazide
SMILESCn1ncc(F)c1C(=O)NNCl
InChIInChI=1S/C5H6ClFN4O/c1-11-4(3(7)2-8-11)5(12)9-10-6/h2,10H,1H3,(H,9,12)
InChIKeyZGCUBODYNUHXSK-UHFFFAOYSA-N
XLogP-0.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.58
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', '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 N'-chloro-4-fluoro-1-methylpyrazole-5-carbohydrazide?
The IUPAC name of N'-chloro-4-fluoro-1-methylpyrazole-5-carbohydrazide (CID 166903172) is N'-chloro-4-fluoro-1-methylpyrazole-5-carbohydrazide.
What is the SMILES notation for N'-chloro-4-fluoro-1-methylpyrazole-5-carbohydrazide?
The canonical SMILES for N'-chloro-4-fluoro-1-methylpyrazole-5-carbohydrazide is Cn1ncc(F)c1C(=O)NNCl.
What is the InChIKey of N'-chloro-4-fluoro-1-methylpyrazole-5-carbohydrazide?
The InChIKey is ZGCUBODYNUHXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClFN4O/c1-11-4(3(7)2-8-11)5(12)9-10-6/h2,10H,1H3,(H,9,12).
What are the key properties of N'-chloro-4-fluoro-1-methylpyrazole-5-carbohydrazide?
N'-chloro-4-fluoro-1-methylpyrazole-5-carbohydrazide has a molecular weight of 192.58 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-chloro-4-fluoro-1-methylpyrazole-5-carbohydrazide is sourced from PubChem (CID 166903172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).