3-cyclopropyl-1-(3-fluorophenyl)pyrazole-5-sulfonyl chloride

C12H10ClFN2O2S — CID 55191213

IUPAC3-cyclopropyl-1-(3-fluorophenyl)pyrazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C2CC2)nn1-c1cccc(F)c1
InChIInChI=1S/C12H10ClFN2O2S/c13-19(17,18)12-7-11(8-4-5-8)15-16(12)10-3-1-2-9(14)6-10/h1-3,6-8H,4-5H2
InChIKeyBJHWVMSECXQDEQ-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.82
Rot. Bonds3

About 3-cyclopropyl-1-(3-fluorophenyl)pyrazole-5-sulfonyl chloride

3-cyclopropyl-1-(3-fluorophenyl)pyrazole-5-sulfonyl chloride (PubChem CID 55191213) has the molecular formula C12H10ClFN2O2S and a molecular weight of 300.74 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-fluorophenyl)pyrazole-5-sulfonyl chloride.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-fluorophenyl)pyrazole-5-sulfonyl chloride
PubChem CID55191213
Molecular FormulaC12H10ClFN2O2S
Molecular Weight300.74 g/mol
Exact Mass300.01
IUPAC Name3-cyclopropyl-1-(3-fluorophenyl)pyrazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C2CC2)nn1-c1cccc(F)c1
InChIInChI=1S/C12H10ClFN2O2S/c13-19(17,18)12-7-11(8-4-5-8)15-16(12)10-3-1-2-9(14)6-10/h1-3,6-8H,4-5H2
InChIKeyBJHWVMSECXQDEQ-UHFFFAOYSA-N
XLogP2.82
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-fluorophenyl)pyrazole-5-sulfonyl chloride?
The IUPAC name of 3-cyclopropyl-1-(3-fluorophenyl)pyrazole-5-sulfonyl chloride (CID 55191213) is 3-cyclopropyl-1-(3-fluorophenyl)pyrazole-5-sulfonyl chloride.
What is the SMILES notation for 3-cyclopropyl-1-(3-fluorophenyl)pyrazole-5-sulfonyl chloride?
The canonical SMILES for 3-cyclopropyl-1-(3-fluorophenyl)pyrazole-5-sulfonyl chloride is O=S(=O)(Cl)c1cc(C2CC2)nn1-c1cccc(F)c1.
What is the InChIKey of 3-cyclopropyl-1-(3-fluorophenyl)pyrazole-5-sulfonyl chloride?
The InChIKey is BJHWVMSECXQDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2S/c13-19(17,18)12-7-11(8-4-5-8)15-16(12)10-3-1-2-9(14)6-10/h1-3,6-8H,4-5H2.
What are the key properties of 3-cyclopropyl-1-(3-fluorophenyl)pyrazole-5-sulfonyl chloride?
3-cyclopropyl-1-(3-fluorophenyl)pyrazole-5-sulfonyl chloride has a molecular weight of 300.74 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-fluorophenyl)pyrazole-5-sulfonyl chloride is sourced from PubChem (CID 55191213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).