1-(difluoromethyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide

C11H15F2N5O2S — CID 29089839

IUPAC1-(difluoromethyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)cc1S(=O)(=O)N(C)Cc1ccnn1C
InChIInChI=1S/C11H15F2N5O2S/c1-8-10(7-18(15-8)11(12)13)21(19,20)16(2)6-9-4-5-14-17(9)3/h4-5,7,11H,6H2,1-3H3
InChIKeyBBCXFSRKBYZUJM-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.14
Rot. Bonds5

About 1-(difluoromethyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide

1-(difluoromethyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 29089839) has the molecular formula C11H15F2N5O2S and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-(difluoromethyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
PubChem CID29089839
Molecular FormulaC11H15F2N5O2S
Molecular Weight319.34 g/mol
Exact Mass319.09
IUPAC Name1-(difluoromethyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)cc1S(=O)(=O)N(C)Cc1ccnn1C
InChIInChI=1S/C11H15F2N5O2S/c1-8-10(7-18(15-8)11(12)13)21(19,20)16(2)6-9-4-5-14-17(9)3/h4-5,7,11H,6H2,1-3H3
InChIKeyBBCXFSRKBYZUJM-UHFFFAOYSA-N
XLogP1.14
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide (CID 29089839) is 1-(difluoromethyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide is Cc1nn(C(F)F)cc1S(=O)(=O)N(C)Cc1ccnn1C.
What is the InChIKey of 1-(difluoromethyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is BBCXFSRKBYZUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5O2S/c1-8-10(7-18(15-8)11(12)13)21(19,20)16(2)6-9-4-5-14-17(9)3/h4-5,7,11H,6H2,1-3H3.
What are the key properties of 1-(difluoromethyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide?
1-(difluoromethyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 319.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 29089839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).