3-[4-(3-fluoropropoxy)phenyl]-1-(4-methylphenyl)sulfonylpyrazole

C19H19FN2O3S — CID 3805874

IUPAC3-[4-(3-fluoropropoxy)phenyl]-1-(4-methylphenyl)sulfonylpyrazole
SMILESCc1ccc(S(=O)(=O)n2ccc(-c3ccc(OCCCF)cc3)n2)cc1
InChIInChI=1S/C19H19FN2O3S/c1-15-3-9-18(10-4-15)26(23,24)22-13-11-19(21-22)16-5-7-17(8-6-16)25-14-2-12-20/h3-11,13H,2,12,14H2,1H3
InChIKeyTZTNRBKZLSRMOK-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.83
Rot. Bonds7

About 3-[4-(3-fluoropropoxy)phenyl]-1-(4-methylphenyl)sulfonylpyrazole

3-[4-(3-fluoropropoxy)phenyl]-1-(4-methylphenyl)sulfonylpyrazole (PubChem CID 3805874) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[4-(3-fluoropropoxy)phenyl]-1-(4-methylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name3-[4-(3-fluoropropoxy)phenyl]-1-(4-methylphenyl)sulfonylpyrazole
PubChem CID3805874
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC Name3-[4-(3-fluoropropoxy)phenyl]-1-(4-methylphenyl)sulfonylpyrazole
SMILESCc1ccc(S(=O)(=O)n2ccc(-c3ccc(OCCCF)cc3)n2)cc1
InChIInChI=1S/C19H19FN2O3S/c1-15-3-9-18(10-4-15)26(23,24)22-13-11-19(21-22)16-5-7-17(8-6-16)25-14-2-12-20/h3-11,13H,2,12,14H2,1H3
InChIKeyTZTNRBKZLSRMOK-UHFFFAOYSA-N
XLogP3.83
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoropropoxy)phenyl]-1-(4-methylphenyl)sulfonylpyrazole?
The IUPAC name of 3-[4-(3-fluoropropoxy)phenyl]-1-(4-methylphenyl)sulfonylpyrazole (CID 3805874) is 3-[4-(3-fluoropropoxy)phenyl]-1-(4-methylphenyl)sulfonylpyrazole.
What is the SMILES notation for 3-[4-(3-fluoropropoxy)phenyl]-1-(4-methylphenyl)sulfonylpyrazole?
The canonical SMILES for 3-[4-(3-fluoropropoxy)phenyl]-1-(4-methylphenyl)sulfonylpyrazole is Cc1ccc(S(=O)(=O)n2ccc(-c3ccc(OCCCF)cc3)n2)cc1.
What is the InChIKey of 3-[4-(3-fluoropropoxy)phenyl]-1-(4-methylphenyl)sulfonylpyrazole?
The InChIKey is TZTNRBKZLSRMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-15-3-9-18(10-4-15)26(23,24)22-13-11-19(21-22)16-5-7-17(8-6-16)25-14-2-12-20/h3-11,13H,2,12,14H2,1H3.
What are the key properties of 3-[4-(3-fluoropropoxy)phenyl]-1-(4-methylphenyl)sulfonylpyrazole?
3-[4-(3-fluoropropoxy)phenyl]-1-(4-methylphenyl)sulfonylpyrazole has a molecular weight of 374.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluoropropoxy)phenyl]-1-(4-methylphenyl)sulfonylpyrazole is sourced from PubChem (CID 3805874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).