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

C12H17F2N5O2S — CID 19576599

IUPAC1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nccc1CN(C)S(=O)(=O)c1cnn(C(F)F)c1C
InChIInChI=1S/C12H17F2N5O2S/c1-4-18-10(5-6-15-18)8-17(3)22(20,21)11-7-16-19(9(11)2)12(13)14/h5-7,12H,4,8H2,1-3H3
InChIKeyFZSQJVFZCIBXDQ-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.62
Rot. Bonds6

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

1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide (PubChem CID 19576599) has the molecular formula C12H17F2N5O2S and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide
PubChem CID19576599
Molecular FormulaC12H17F2N5O2S
Molecular Weight333.36 g/mol
Exact Mass333.11
IUPAC Name1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nccc1CN(C)S(=O)(=O)c1cnn(C(F)F)c1C
InChIInChI=1S/C12H17F2N5O2S/c1-4-18-10(5-6-15-18)8-17(3)22(20,21)11-7-16-19(9(11)2)12(13)14/h5-7,12H,4,8H2,1-3H3
InChIKeyFZSQJVFZCIBXDQ-UHFFFAOYSA-N
XLogP1.62
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
N-[(4-bromo-1-ethyl-1H-pyrazol-5-yl)methyl]-1-ethyl-N,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 29095255
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
N,N-dimethyl-1-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 132376483
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
1-(difluoromethyl)-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19576557

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide (CID 19576599) is 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide is CCn1nccc1CN(C)S(=O)(=O)c1cnn(C(F)F)c1C.
What is the InChIKey of 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is FZSQJVFZCIBXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N5O2S/c1-4-18-10(5-6-15-18)8-17(3)22(20,21)11-7-16-19(9(11)2)12(13)14/h5-7,12H,4,8H2,1-3H3.
What are the key properties of 1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide?
1-(difluoromethyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 333.36 g/mol, XLogP of 1.62, 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,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19576599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).