4-fluoro-1H-pyrazole-5-carbonyl chloride

C4H2ClFN2O — CID 162517896

IUPAC4-fluoro-1H-pyrazole-5-carbonyl chloride
SMILESO=C(Cl)c1[nH]ncc1F
InChIInChI=1S/C4H2ClFN2O/c5-4(9)3-2(6)1-7-8-3/h1H,(H,7,8)
InChIKeyQJUVXINWIVKDQT-UHFFFAOYSA-N
MW148.52 g/mol
LogP0.93
Rot. Bonds1

About 4-fluoro-1H-pyrazole-5-carbonyl chloride

4-fluoro-1H-pyrazole-5-carbonyl chloride (PubChem CID 162517896) has the molecular formula C4H2ClFN2O and a molecular weight of 148.52 g/mol. Its IUPAC name is 4-fluoro-1H-pyrazole-5-carbonyl chloride.

Molecular Properties

Compound Name4-fluoro-1H-pyrazole-5-carbonyl chloride
PubChem CID162517896
Molecular FormulaC4H2ClFN2O
Molecular Weight148.52 g/mol
Exact Mass147.98
IUPAC Name4-fluoro-1H-pyrazole-5-carbonyl chloride
SMILESO=C(Cl)c1[nH]ncc1F
InChIInChI=1S/C4H2ClFN2O/c5-4(9)3-2(6)1-7-8-3/h1H,(H,7,8)
InChIKeyQJUVXINWIVKDQT-UHFFFAOYSA-N
XLogP0.93
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.52
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-3-formylpyrazole
CID 2761026
4-Chloro-1H-pyrazole-3-carboxamide
CID 46318315
4-fluoro-1H-pyrazole-5-carbaldehyde
CID 148830402
4-Fluoro-1h-pyrazole-3-carboxamide
CID 15374528
1H-Pyrazole-5-carbonyl chloride
CID 12795646
1H-Pyrazole-4,5-dicarbonyl dichloride
CID 45358821
3-(Trifluoromethyl)-1H-pyrazole-4-carbonyl chloride
CID 90835535
4-(trifluoromethyl)-1H-pyrazole-5-carbonyl chloride
CID 139909430
5-(fluoromethyl)-1H-pyrazole-4-carbonyl chloride
CID 141091552
4-[chloro(difluoro)methyl]-1H-pyrazole-5-carbaldehyde
CID 144327775
4-(difluoromethyl)-1H-pyrazole-5-carbonyl chloride
CID 151077741
5-[chloro(difluoro)methyl]-1H-pyrazole-4-carbonyl chloride
CID 150609026

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1H-pyrazole-5-carbonyl chloride?
The IUPAC name of 4-fluoro-1H-pyrazole-5-carbonyl chloride (CID 162517896) is 4-fluoro-1H-pyrazole-5-carbonyl chloride.
What is the SMILES notation for 4-fluoro-1H-pyrazole-5-carbonyl chloride?
The canonical SMILES for 4-fluoro-1H-pyrazole-5-carbonyl chloride is O=C(Cl)c1[nH]ncc1F.
What is the InChIKey of 4-fluoro-1H-pyrazole-5-carbonyl chloride?
The InChIKey is QJUVXINWIVKDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClFN2O/c5-4(9)3-2(6)1-7-8-3/h1H,(H,7,8).
What are the key properties of 4-fluoro-1H-pyrazole-5-carbonyl chloride?
4-fluoro-1H-pyrazole-5-carbonyl chloride has a molecular weight of 148.52 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1H-pyrazole-5-carbonyl chloride is sourced from PubChem (CID 162517896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).