1-(difluoromethyl)-N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide

C12H17F2N5O2S — CID 29089301

IUPAC1-(difluoromethyl)-N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)N(C)Cc1ccnn1C
InChIInChI=1S/C12H17F2N5O2S/c1-8-11(9(2)19(16-8)12(13)14)22(20,21)17(3)7-10-5-6-15-18(10)4/h5-6,12H,7H2,1-4H3
InChIKeyBYHJNJFKYOZORK-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.45
Rot. Bonds5

About 1-(difluoromethyl)-N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide

1-(difluoromethyl)-N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 29089301) has the molecular formula C12H17F2N5O2S and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-(difluoromethyl)-N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
PubChem CID29089301
Molecular FormulaC12H17F2N5O2S
Molecular Weight333.36 g/mol
Exact Mass333.11
IUPAC Name1-(difluoromethyl)-N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)N(C)Cc1ccnn1C
InChIInChI=1S/C12H17F2N5O2S/c1-8-11(9(2)19(16-8)12(13)14)22(20,21)17(3)7-10-5-6-15-18(10)4/h5-6,12H,7H2,1-4H3
InChIKeyBYHJNJFKYOZORK-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

1,3,5-trimethyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 71808089
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
2-(methoxymethyl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazole-3-sulfonamide
CID 138009320
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-1H-pyrazol-5-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19576599
4-{[5-(difluoromethyl)-3-methyl-1H-pyrazol-1-yl]sulfonyl}-1,3-dimethyl-1H-pyrazole
CID 19587891
5-(Difluoromethyl)-1-[(1-ethyl-1H-pyrazol-4-YL)sulfonyl]-3-methyl-1H-pyrazole
CID 19588726
4-[5-(Difluoromethyl)-3-methylpyrazol-1-yl]sulfonyl-1,3,5-trimethylpyrazole
CID 19588865

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide (CID 29089301) is 1-(difluoromethyl)-N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide is Cc1nn(C(F)F)c(C)c1S(=O)(=O)N(C)Cc1ccnn1C.
What is the InChIKey of 1-(difluoromethyl)-N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is BYHJNJFKYOZORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N5O2S/c1-8-11(9(2)19(16-8)12(13)14)22(20,21)17(3)7-10-5-6-15-18(10)4/h5-6,12H,7H2,1-4H3.
What are the key properties of 1-(difluoromethyl)-N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide?
1-(difluoromethyl)-N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-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,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 29089301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).