1-(difluoromethyl)-3-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide

C12H14F5N5O2S — CID 19614428

IUPAC1-(difluoromethyl)-3-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)cc1S(=O)(=O)NCCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C12H14F5N5O2S/c1-7-5-10(12(15,16)17)20-21(7)4-3-18-25(23,24)9-6-22(11(13)14)19-8(9)2/h5-6,11,18H,3-4H2,1-2H3
InChIKeyJFERIYKTBNCMLY-UHFFFAOYSA-N
MW387.33 g/mol
LogP2.09
Rot. Bonds6

About 1-(difluoromethyl)-3-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide

1-(difluoromethyl)-3-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide (PubChem CID 19614428) has the molecular formula C12H14F5N5O2S and a molecular weight of 387.33 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-3-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide
PubChem CID19614428
Molecular FormulaC12H14F5N5O2S
Molecular Weight387.33 g/mol
Exact Mass387.08
IUPAC Name1-(difluoromethyl)-3-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)cc1S(=O)(=O)NCCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C12H14F5N5O2S/c1-7-5-10(12(15,16)17)20-21(7)4-3-18-25(23,24)9-6-22(11(13)14)19-8(9)2/h5-6,11,18H,3-4H2,1-2H3
InChIKeyJFERIYKTBNCMLY-UHFFFAOYSA-N
XLogP2.09
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 49670912
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-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl}{1-[(1-ethyl-5-methylpy razol-4-yl)methyl]pyrazol-4-yl}amine
CID 19582890
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
N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)pyrazole-4-sulfonamide
CID 51853600
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
2-(methoxymethyl)-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazole-3-sulfonamide
CID 138009320
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

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-3-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide (CID 19614428) is 1-(difluoromethyl)-3-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-3-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-3-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide is Cc1nn(C(F)F)cc1S(=O)(=O)NCCn1nc(C(F)(F)F)cc1C.
What is the InChIKey of 1-(difluoromethyl)-3-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide?
The InChIKey is JFERIYKTBNCMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5N5O2S/c1-7-5-10(12(15,16)17)20-21(7)4-3-18-25(23,24)9-6-22(11(13)14)19-8(9)2/h5-6,11,18H,3-4H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-3-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide?
1-(difluoromethyl)-3-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide has a molecular weight of 387.33 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19614428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).