phenyl 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate

C14H12N2O4S — CID 164616544

IUPACphenyl 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate
SMILESCc1cc(-c2ccco2)nn1S(=O)(=O)Oc1ccccc1
InChIInChI=1S/C14H12N2O4S/c1-11-10-13(14-8-5-9-19-14)15-16(11)21(17,18)20-12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyFVRPJLVMXBTYQL-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.62
Rot. Bonds4

About phenyl 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate

phenyl 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate (PubChem CID 164616544) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is phenyl 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate.

Molecular Properties

Compound Namephenyl 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate
PubChem CID164616544
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Namephenyl 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate
SMILESCc1cc(-c2ccco2)nn1S(=O)(=O)Oc1ccccc1
InChIInChI=1S/C14H12N2O4S/c1-11-10-13(14-8-5-9-19-14)15-16(11)21(17,18)20-12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyFVRPJLVMXBTYQL-UHFFFAOYSA-N
XLogP2.62
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(Furan-2-yl)-3-methyl-1-phenylpyrazole
CID 708752
5-(2-Furyl)-3-methyl-1H-pyrazole
CID 700124
5-(2-furyl)-1-(4-methoxy-phenyl)-3-(trifluoromethyl)-1H-pyrazole
CID 22240519
5-(2-Furyl)-3-(trifluoromethyl)pyrazole
CID 12007125
methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
CID 4518631
5-(furan-2-yl)-3-phenyl-1H-pyrazole
CID 835422
2-(3-(Furan-2-YL)-1H-pyrazol-5-YL)aniline
CID 10823070
(2-Chlorophenyl) 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate
CID 164610449
1H-Pyrazole, 3-(2-furanyl)-1-phenyl-5-(trifluoromethyl)-
CID 11011312
1-Phenyl-3-trifluoromethyl-5-(2-furyl)-1H-pyrazole
CID 57780362
1-Tert-butyl-3-(furan-2-yl)-5-(trifluoromethyl)pyrazole
CID 57780226
3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carbaldehyde
CID 83816616

Frequently Asked Questions

What is the IUPAC name of phenyl 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate?
The IUPAC name of phenyl 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate (CID 164616544) is phenyl 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate.
What is the SMILES notation for phenyl 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate?
The canonical SMILES for phenyl 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate is Cc1cc(-c2ccco2)nn1S(=O)(=O)Oc1ccccc1.
What is the InChIKey of phenyl 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate?
The InChIKey is FVRPJLVMXBTYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-11-10-13(14-8-5-9-19-14)15-16(11)21(17,18)20-12-6-3-2-4-7-12/h2-10H,1H3.
What are the key properties of phenyl 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate?
phenyl 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate has a molecular weight of 304.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate is sourced from PubChem (CID 164616544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).