1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-4-sulfonamide

C11H15F2N5O2S — CID 29089856

IUPAC1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-4-sulfonamide
SMILESCCn1nccc1CN(C)S(=O)(=O)c1cnn(C(F)F)c1
InChIInChI=1S/C11H15F2N5O2S/c1-3-17-9(4-5-14-17)7-16(2)21(19,20)10-6-15-18(8-10)11(12)13/h4-6,8,11H,3,7H2,1-2H3
InChIKeyNFGMGUUYDUBBHO-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.32
Rot. Bonds6

About 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-4-sulfonamide

1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-4-sulfonamide (PubChem CID 29089856) has the molecular formula C11H15F2N5O2S and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-4-sulfonamide
PubChem CID29089856
Molecular FormulaC11H15F2N5O2S
Molecular Weight319.34 g/mol
Exact Mass319.09
IUPAC Name1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-4-sulfonamide
SMILESCCn1nccc1CN(C)S(=O)(=O)c1cnn(C(F)F)c1
InChIInChI=1S/C11H15F2N5O2S/c1-3-17-9(4-5-14-17)7-16(2)21(19,20)10-6-15-18(8-10)11(12)13/h4-6,8,11H,3,7H2,1-2H3
InChIKeyNFGMGUUYDUBBHO-UHFFFAOYSA-N
XLogP1.32
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 22203950
4-Methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-3-(trifluoromethyl)pyrazole
CID 2795926
1,3,5-trimethyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 71808089
N-[(4-chloro-1-ethyl-1H-pyrazol-3-yl)methyl]-1-ethyl-N-methyl-1H-pyrazole-4-sulfonamide
CID 19582889
1,5-dimethyl-N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 19614401
1-(difluoromethyl)-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
CID 51853561
1-(difluoromethyl)-3-methyl-N-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
CID 51853676
N,N-dimethyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 132376483
1-Methyl-4-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrazole
CID 10708091
1-(difluoromethyl)-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19576557
1-(difluoromethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19576580
1-(difluoromethyl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19576590

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-4-sulfonamide (CID 29089856) is 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-4-sulfonamide is CCn1nccc1CN(C)S(=O)(=O)c1cnn(C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-4-sulfonamide?
The InChIKey is NFGMGUUYDUBBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5O2S/c1-3-17-9(4-5-14-17)7-16(2)21(19,20)10-6-15-18(8-10)11(12)13/h4-6,8,11H,3,7H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-4-sulfonamide?
1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-4-sulfonamide has a molecular weight of 319.34 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 29089856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).