1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride

C10H11ClF2N4O2S — CID 82913121

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride
SMILESCc1nn(Cc2nccn2C(F)F)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClF2N4O2S/c1-6-9(20(11,18)19)7(2)17(15-6)5-8-14-3-4-16(8)10(12)13/h3-4,10H,5H2,1-2H3
InChIKeyMZLDJNFRRFDGJQ-UHFFFAOYSA-N
MW324.74 g/mol
LogP2.07
Rot. Bonds4

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride (PubChem CID 82913121) has the molecular formula C10H11ClF2N4O2S and a molecular weight of 324.74 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride
PubChem CID82913121
Molecular FormulaC10H11ClF2N4O2S
Molecular Weight324.74 g/mol
Exact Mass324.03
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride
SMILESCc1nn(Cc2nccn2C(F)F)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClF2N4O2S/c1-6-9(20(11,18)19)7(2)17(15-6)5-8-14-3-4-16(8)10(12)13/h3-4,10H,5H2,1-2H3
InChIKeyMZLDJNFRRFDGJQ-UHFFFAOYSA-N
XLogP2.07
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-Ethyl-3,5-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyrazole
CID 134088513
1-methyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1H-imidazole-4-sulfonamide
CID 71808088
3-(1-isopropyl-5-methyl-1H-imidazol-2-yl)-1-pyrrolidinyl (1,3,5-trimethyl-1H-pyrazol-4-yl) sulfone
CID 91923882
N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 91923950
4-(1-methyl-1H-imidazol-5-yl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 137966430
1-(1-Methylimidazol-2-yl)methyl-3,5-dimethylpyrazole
CID 63812081
Bis(trifluoromethylsulfonyl)azanide;1-[(3-hexyl-2-methylimidazol-1-ium-1-yl)methyl]-3,5-dimethylpyrazole
CID 11512372
Bis(trifluoromethylsulfonyl)azanide;1-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]-3,5-dimethylpyrazole
CID 11562140
Bis(trifluoromethylsulfonyl)azanide;1-[(3-butyl-2-methylimidazol-1-ium-1-yl)methyl]-3,5-dimethylpyrazole
CID 11613400
[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647504
1-[1-(Difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-2-ethyl-4-methylimidazole
CID 46282679
1-(difluoromethyl)-3,5-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 46968824

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride (CID 82913121) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride is Cc1nn(Cc2nccn2C(F)F)c(C)c1S(=O)(=O)Cl.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride?
The InChIKey is MZLDJNFRRFDGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N4O2S/c1-6-9(20(11,18)19)7(2)17(15-6)5-8-14-3-4-16(8)10(12)13/h3-4,10H,5H2,1-2H3.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride has a molecular weight of 324.74 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82913121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).