5-(difluoromethyl)-1-(1-ethylpyrazol-4-yl)sulfonyl-3-methylpyrazole

C10H12F2N4O2S — CID 19588726

IUPAC5-(difluoromethyl)-1-(1-ethylpyrazol-4-yl)sulfonyl-3-methylpyrazole
SMILESCCn1cc(S(=O)(=O)n2nc(C)cc2C(F)F)cn1
InChIInChI=1S/C10H12F2N4O2S/c1-3-15-6-8(5-13-15)19(17,18)16-9(10(11)12)4-7(2)14-16/h4-6,10H,3H2,1-2H3
InChIKeyFTUCQUPOQHSTSG-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.58
Rot. Bonds4

About 5-(difluoromethyl)-1-(1-ethylpyrazol-4-yl)sulfonyl-3-methylpyrazole

5-(difluoromethyl)-1-(1-ethylpyrazol-4-yl)sulfonyl-3-methylpyrazole (PubChem CID 19588726) has the molecular formula C10H12F2N4O2S and a molecular weight of 290.30 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-(1-ethylpyrazol-4-yl)sulfonyl-3-methylpyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-1-(1-ethylpyrazol-4-yl)sulfonyl-3-methylpyrazole
PubChem CID19588726
Molecular FormulaC10H12F2N4O2S
Molecular Weight290.30 g/mol
Exact Mass290.06
IUPAC Name5-(difluoromethyl)-1-(1-ethylpyrazol-4-yl)sulfonyl-3-methylpyrazole
SMILESCCn1cc(S(=O)(=O)n2nc(C)cc2C(F)F)cn1
InChIInChI=1S/C10H12F2N4O2S/c1-3-15-6-8(5-13-15)19(17,18)16-9(10(11)12)4-7(2)14-16/h4-6,10H,3H2,1-2H3
InChIKeyFTUCQUPOQHSTSG-UHFFFAOYSA-N
XLogP1.58
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-(1-ethylpyrazol-4-yl)sulfonyl-3-methylpyrazole?
The IUPAC name of 5-(difluoromethyl)-1-(1-ethylpyrazol-4-yl)sulfonyl-3-methylpyrazole (CID 19588726) is 5-(difluoromethyl)-1-(1-ethylpyrazol-4-yl)sulfonyl-3-methylpyrazole.
What is the SMILES notation for 5-(difluoromethyl)-1-(1-ethylpyrazol-4-yl)sulfonyl-3-methylpyrazole?
The canonical SMILES for 5-(difluoromethyl)-1-(1-ethylpyrazol-4-yl)sulfonyl-3-methylpyrazole is CCn1cc(S(=O)(=O)n2nc(C)cc2C(F)F)cn1.
What is the InChIKey of 5-(difluoromethyl)-1-(1-ethylpyrazol-4-yl)sulfonyl-3-methylpyrazole?
The InChIKey is FTUCQUPOQHSTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4O2S/c1-3-15-6-8(5-13-15)19(17,18)16-9(10(11)12)4-7(2)14-16/h4-6,10H,3H2,1-2H3.
What are the key properties of 5-(difluoromethyl)-1-(1-ethylpyrazol-4-yl)sulfonyl-3-methylpyrazole?
5-(difluoromethyl)-1-(1-ethylpyrazol-4-yl)sulfonyl-3-methylpyrazole has a molecular weight of 290.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-(1-ethylpyrazol-4-yl)sulfonyl-3-methylpyrazole is sourced from PubChem (CID 19588726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).