1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide

C13H19F2N5O2S — CID 29089302

IUPAC1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCn1nccc1CN(C)S(=O)(=O)c1c(C)nn(C(F)F)c1C
InChIInChI=1S/C13H19F2N5O2S/c1-5-19-11(6-7-16-19)8-18(4)23(21,22)12-9(2)17-20(10(12)3)13(14)15/h6-7,13H,5,8H2,1-4H3
InChIKeyDRHAGPUATYTIEQ-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.93
Rot. Bonds6

About 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide

1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 29089302) has the molecular formula C13H19F2N5O2S and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID29089302
Molecular FormulaC13H19F2N5O2S
Molecular Weight347.39 g/mol
Exact Mass347.12
IUPAC Name1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCn1nccc1CN(C)S(=O)(=O)c1c(C)nn(C(F)F)c1C
InChIInChI=1S/C13H19F2N5O2S/c1-5-19-11(6-7-16-19)8-18(4)23(21,22)12-9(2)17-20(10(12)3)13(14)15/h6-7,13H,5,8H2,1-4H3
InChIKeyDRHAGPUATYTIEQ-UHFFFAOYSA-N
XLogP1.93
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 44822173
1-ethyl-N-[(5-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 70712495
1,3,5-trimethyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 71808089
1-((1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)-4-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-1,4-diazepane
CID 86266991
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
4-(1H-1,2,3-triazol-1-yl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 121151449
N,N-dimethyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 132376483
1-(difluoromethyl)-N,5-dimethyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 19576528
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-ethyl-1H-pyrazol-5-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19576599

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide (CID 29089302) is 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide is CCn1nccc1CN(C)S(=O)(=O)c1c(C)nn(C(F)F)c1C.
What is the InChIKey of 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is DRHAGPUATYTIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N5O2S/c1-5-19-11(6-7-16-19)8-18(4)23(21,22)12-9(2)17-20(10(12)3)13(14)15/h6-7,13H,5,8H2,1-4H3.
What are the key properties of 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide?
1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 347.39 g/mol, XLogP of 1.93, 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,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 29089302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).