1-methyl-5-propan-2-yloxypyrazole-4-sulfonyl chloride

C7H11ClN2O3S — CID 98463885

IUPAC1-methyl-5-propan-2-yloxypyrazole-4-sulfonyl chloride
SMILESCC(C)Oc1c(S(=O)(=O)Cl)cnn1C
InChIInChI=1S/C7H11ClN2O3S/c1-5(2)13-7-6(14(8,11)12)4-9-10(7)3/h4-5H,1-3H3
InChIKeyGJCAPSHZCAVUQO-UHFFFAOYSA-N
MW238.70 g/mol
LogP1.13
Rot. Bonds3

About 1-methyl-5-propan-2-yloxypyrazole-4-sulfonyl chloride

1-methyl-5-propan-2-yloxypyrazole-4-sulfonyl chloride (PubChem CID 98463885) has the molecular formula C7H11ClN2O3S and a molecular weight of 238.70 g/mol. Its IUPAC name is 1-methyl-5-propan-2-yloxypyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-methyl-5-propan-2-yloxypyrazole-4-sulfonyl chloride
PubChem CID98463885
Molecular FormulaC7H11ClN2O3S
Molecular Weight238.70 g/mol
Exact Mass238.02
IUPAC Name1-methyl-5-propan-2-yloxypyrazole-4-sulfonyl chloride
SMILESCC(C)Oc1c(S(=O)(=O)Cl)cnn1C
InChIInChI=1S/C7H11ClN2O3S/c1-5(2)13-7-6(14(8,11)12)4-9-10(7)3/h4-5H,1-3H3
InChIKeyGJCAPSHZCAVUQO-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-yloxypyrazole-4-sulfonyl chloride?
The IUPAC name of 1-methyl-5-propan-2-yloxypyrazole-4-sulfonyl chloride (CID 98463885) is 1-methyl-5-propan-2-yloxypyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-methyl-5-propan-2-yloxypyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-methyl-5-propan-2-yloxypyrazole-4-sulfonyl chloride is CC(C)Oc1c(S(=O)(=O)Cl)cnn1C.
What is the InChIKey of 1-methyl-5-propan-2-yloxypyrazole-4-sulfonyl chloride?
The InChIKey is GJCAPSHZCAVUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O3S/c1-5(2)13-7-6(14(8,11)12)4-9-10(7)3/h4-5H,1-3H3.
What are the key properties of 1-methyl-5-propan-2-yloxypyrazole-4-sulfonyl chloride?
1-methyl-5-propan-2-yloxypyrazole-4-sulfonyl chloride has a molecular weight of 238.70 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-yloxypyrazole-4-sulfonyl chloride is sourced from PubChem (CID 98463885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).