5-(difluoromethyl)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrazole

C10H12F2N4O2S — CID 19587891

IUPAC5-(difluoromethyl)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrazole
SMILESCc1cc(C(F)F)n(S(=O)(=O)c2cn(C)nc2C)n1
InChIInChI=1S/C10H12F2N4O2S/c1-6-4-8(10(11)12)16(13-6)19(17,18)9-5-15(3)14-7(9)2/h4-5,10H,1-3H3
InChIKeyDXQMKAWZGMXKBJ-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.41
Rot. Bonds3

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

5-(difluoromethyl)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrazole (PubChem CID 19587891) has the molecular formula C10H12F2N4O2S and a molecular weight of 290.30 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrazole
PubChem CID19587891
Molecular FormulaC10H12F2N4O2S
Molecular Weight290.30 g/mol
Exact Mass290.06
IUPAC Name5-(difluoromethyl)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrazole
SMILESCc1cc(C(F)F)n(S(=O)(=O)c2cn(C)nc2C)n1
InChIInChI=1S/C10H12F2N4O2S/c1-6-4-8(10(11)12)16(13-6)19(17,18)9-5-15(3)14-7(9)2/h4-5,10H,1-3H3
InChIKeyDXQMKAWZGMXKBJ-UHFFFAOYSA-N
XLogP1.41
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrazole?
The IUPAC name of 5-(difluoromethyl)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrazole (CID 19587891) is 5-(difluoromethyl)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrazole.
What is the SMILES notation for 5-(difluoromethyl)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrazole?
The canonical SMILES for 5-(difluoromethyl)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrazole is Cc1cc(C(F)F)n(S(=O)(=O)c2cn(C)nc2C)n1.
What is the InChIKey of 5-(difluoromethyl)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrazole?
The InChIKey is DXQMKAWZGMXKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4O2S/c1-6-4-8(10(11)12)16(13-6)19(17,18)9-5-15(3)14-7(9)2/h4-5,10H,1-3H3.
What are the key properties of 5-(difluoromethyl)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrazole?
5-(difluoromethyl)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrazole has a molecular weight of 290.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-methylpyrazole is sourced from PubChem (CID 19587891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).