3-(difluoromethylsulfonyl)-1-methyl-5-(4-methyloctan-4-yl)pyrazole

C14H24F2N2O2S — CID 138712191

IUPAC3-(difluoromethylsulfonyl)-1-methyl-5-(4-methyloctan-4-yl)pyrazole
SMILESCCCCC(C)(CCC)c1cc(S(=O)(=O)C(F)F)nn1C
InChIInChI=1S/C14H24F2N2O2S/c1-5-7-9-14(3,8-6-2)11-10-12(17-18(11)4)21(19,20)13(15)16/h10,13H,5-9H2,1-4H3
InChIKeyRZFYQQUWOIDSHH-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.66
Rot. Bonds8

About 3-(difluoromethylsulfonyl)-1-methyl-5-(4-methyloctan-4-yl)pyrazole

3-(difluoromethylsulfonyl)-1-methyl-5-(4-methyloctan-4-yl)pyrazole (PubChem CID 138712191) has the molecular formula C14H24F2N2O2S and a molecular weight of 322.42 g/mol. Its IUPAC name is 3-(difluoromethylsulfonyl)-1-methyl-5-(4-methyloctan-4-yl)pyrazole.

Molecular Properties

Compound Name3-(difluoromethylsulfonyl)-1-methyl-5-(4-methyloctan-4-yl)pyrazole
PubChem CID138712191
Molecular FormulaC14H24F2N2O2S
Molecular Weight322.42 g/mol
Exact Mass322.15
IUPAC Name3-(difluoromethylsulfonyl)-1-methyl-5-(4-methyloctan-4-yl)pyrazole
SMILESCCCCC(C)(CCC)c1cc(S(=O)(=O)C(F)F)nn1C
InChIInChI=1S/C14H24F2N2O2S/c1-5-7-9-14(3,8-6-2)11-10-12(17-18(11)4)21(19,20)13(15)16/h10,13H,5-9H2,1-4H3
InChIKeyRZFYQQUWOIDSHH-UHFFFAOYSA-N
XLogP3.66
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonyl)-1-methyl-5-(4-methyloctan-4-yl)pyrazole?
The IUPAC name of 3-(difluoromethylsulfonyl)-1-methyl-5-(4-methyloctan-4-yl)pyrazole (CID 138712191) is 3-(difluoromethylsulfonyl)-1-methyl-5-(4-methyloctan-4-yl)pyrazole.
What is the SMILES notation for 3-(difluoromethylsulfonyl)-1-methyl-5-(4-methyloctan-4-yl)pyrazole?
The canonical SMILES for 3-(difluoromethylsulfonyl)-1-methyl-5-(4-methyloctan-4-yl)pyrazole is CCCCC(C)(CCC)c1cc(S(=O)(=O)C(F)F)nn1C.
What is the InChIKey of 3-(difluoromethylsulfonyl)-1-methyl-5-(4-methyloctan-4-yl)pyrazole?
The InChIKey is RZFYQQUWOIDSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O2S/c1-5-7-9-14(3,8-6-2)11-10-12(17-18(11)4)21(19,20)13(15)16/h10,13H,5-9H2,1-4H3.
What are the key properties of 3-(difluoromethylsulfonyl)-1-methyl-5-(4-methyloctan-4-yl)pyrazole?
3-(difluoromethylsulfonyl)-1-methyl-5-(4-methyloctan-4-yl)pyrazole has a molecular weight of 322.42 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonyl)-1-methyl-5-(4-methyloctan-4-yl)pyrazole is sourced from PubChem (CID 138712191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).