1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide

C12H17F2N5O2S — CID 19576580

IUPAC1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1CN(C)S(=O)(=O)c1cnn(C(F)F)c1C
InChIInChI=1S/C12H17F2N5O2S/c1-8-10(6-17(3)16-8)7-18(4)22(20,21)11-5-15-19(9(11)2)12(13)14/h5-6,12H,7H2,1-4H3
InChIKeyJONVFLFAHANRRB-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.45
Rot. Bonds5

About 1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide

1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide (PubChem CID 19576580) has the molecular formula C12H17F2N5O2S and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide
PubChem CID19576580
Molecular FormulaC12H17F2N5O2S
Molecular Weight333.36 g/mol
Exact Mass333.11
IUPAC Name1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1CN(C)S(=O)(=O)c1cnn(C(F)F)c1C
InChIInChI=1S/C12H17F2N5O2S/c1-8-10(6-17(3)16-8)7-18(4)22(20,21)11-5-15-19(9(11)2)12(13)14/h5-6,12H,7H2,1-4H3
InChIKeyJONVFLFAHANRRB-UHFFFAOYSA-N
XLogP1.45
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.45
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
N-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 29089488
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-1H-pyrazole-4-sulfonamide
CID 29089517
N-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 29089522
N-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 44822173
1-(difluoromethyl)-3-methyl-1H-pyrazole-4-sulfonyl chloride
CID 6485422
4-Methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-3-(trifluoromethyl)pyrazole
CID 2795926
1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
CID 13630088
1-(difluoromethyl)-3-methyl-N-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
CID 51853676
1-methyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]sulfonyl-3-(trifluoromethyl)pyrazole
CID 164638670
(6S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 164640545
1-Methyl-4-pyrrolidin-1-ylsulfonyl-3-(trifluoromethyl)pyrazole
CID 10708091

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide (CID 19576580) is 1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide is Cc1nn(C)cc1CN(C)S(=O)(=O)c1cnn(C(F)F)c1C.
What is the InChIKey of 1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is JONVFLFAHANRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N5O2S/c1-8-10(6-17(3)16-8)7-18(4)22(20,21)11-5-15-19(9(11)2)12(13)14/h5-6,12H,7H2,1-4H3.
What are the key properties of 1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide?
1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 333.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19576580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).