1-(methoxymethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride

C7H11ClN2O3S — CID 65365020

IUPAC1-(methoxymethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
SMILESCOCn1nc(C)c(S(=O)(=O)Cl)c1C
InChIInChI=1S/C7H11ClN2O3S/c1-5-7(14(8,11)12)6(2)10(9-5)4-13-3/h4H2,1-3H3
InChIKeyMCXIHAXBGMRYQV-UHFFFAOYSA-N
MW238.70 g/mol
LogP1.03
Rot. Bonds3

About 1-(methoxymethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride

1-(methoxymethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride (PubChem CID 65365020) has the molecular formula C7H11ClN2O3S and a molecular weight of 238.70 g/mol. Its IUPAC name is 1-(methoxymethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(methoxymethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
PubChem CID65365020
Molecular FormulaC7H11ClN2O3S
Molecular Weight238.70 g/mol
Exact Mass238.02
IUPAC Name1-(methoxymethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
SMILESCOCn1nc(C)c(S(=O)(=O)Cl)c1C
InChIInChI=1S/C7H11ClN2O3S/c1-5-7(14(8,11)12)6(2)10(9-5)4-13-3/h4H2,1-3H3
InChIKeyMCXIHAXBGMRYQV-UHFFFAOYSA-N
XLogP1.03
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-trimethyl-1H-pyrazole-4-sulfonyl chloride
CID 2737340
3,5-diethyl-1-methyl-1H-pyrazole-4-sulfonamide
CID 71756970
1,3,5-Trimethyl-1H-pyrazole-4-sulfonic acid
CID 3102534
1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 6485421
trimethyl-1H-pyrazole-4-sulfonamide
CID 16228087
1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 17024786
1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 18981663
1-tert-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 43531775
3-(chloromethyl)-1,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 12263077
3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonyl chloride
CID 19622858
3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonyl chloride
CID 43531726
3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 54593633

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(methoxymethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride (CID 65365020) is 1-(methoxymethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(methoxymethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(methoxymethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride is COCn1nc(C)c(S(=O)(=O)Cl)c1C.
What is the InChIKey of 1-(methoxymethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride?
The InChIKey is MCXIHAXBGMRYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O3S/c1-5-7(14(8,11)12)6(2)10(9-5)4-13-3/h4H2,1-3H3.
What are the key properties of 1-(methoxymethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride?
1-(methoxymethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride has a molecular weight of 238.70 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 65365020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).