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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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).