5-(fluoromethyl)-1H-pyrazole-4-carbonyl chloride

C5H4ClFN2O — CID 141091552

IUPAC5-(fluoromethyl)-1H-pyrazole-4-carbonyl chloride
SMILESO=C(Cl)c1cn[nH]c1CF
InChIInChI=1S/C5H4ClFN2O/c6-5(10)3-2-8-9-4(3)1-7/h2H,1H2,(H,8,9)
InChIKeyRSZDGQQMYUHIDH-UHFFFAOYSA-N
MW162.55 g/mol
LogP1.26
Rot. Bonds2

About 5-(fluoromethyl)-1H-pyrazole-4-carbonyl chloride

5-(fluoromethyl)-1H-pyrazole-4-carbonyl chloride (PubChem CID 141091552) has the molecular formula C5H4ClFN2O and a molecular weight of 162.55 g/mol. Its IUPAC name is 5-(fluoromethyl)-1H-pyrazole-4-carbonyl chloride.

Molecular Properties

Compound Name5-(fluoromethyl)-1H-pyrazole-4-carbonyl chloride
PubChem CID141091552
Molecular FormulaC5H4ClFN2O
Molecular Weight162.55 g/mol
Exact Mass162.00
IUPAC Name5-(fluoromethyl)-1H-pyrazole-4-carbonyl chloride
SMILESO=C(Cl)c1cn[nH]c1CF
InChIInChI=1S/C5H4ClFN2O/c6-5(10)3-2-8-9-4(3)1-7/h2H,1H2,(H,8,9)
InChIKeyRSZDGQQMYUHIDH-UHFFFAOYSA-N
XLogP1.26
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.55
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1H-pyrazole-4-carbonyl chloride?
The IUPAC name of 5-(fluoromethyl)-1H-pyrazole-4-carbonyl chloride (CID 141091552) is 5-(fluoromethyl)-1H-pyrazole-4-carbonyl chloride.
What is the SMILES notation for 5-(fluoromethyl)-1H-pyrazole-4-carbonyl chloride?
The canonical SMILES for 5-(fluoromethyl)-1H-pyrazole-4-carbonyl chloride is O=C(Cl)c1cn[nH]c1CF.
What is the InChIKey of 5-(fluoromethyl)-1H-pyrazole-4-carbonyl chloride?
The InChIKey is RSZDGQQMYUHIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFN2O/c6-5(10)3-2-8-9-4(3)1-7/h2H,1H2,(H,8,9).
What are the key properties of 5-(fluoromethyl)-1H-pyrazole-4-carbonyl chloride?
5-(fluoromethyl)-1H-pyrazole-4-carbonyl chloride has a molecular weight of 162.55 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1H-pyrazole-4-carbonyl chloride is sourced from PubChem (CID 141091552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).