1-(2-tert-butylpyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride

C11H16ClN3O3S — CID 168711070

IUPAC1-(2-tert-butylpyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCC(C)(C)n1nccc1N1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C11H16ClN3O3S/c1-11(2,3)15-9(4-5-13-15)14-7-8(6-10(14)16)19(12,17)18/h4-5,8H,6-7H2,1-3H3
InChIKeyQHAKSQYCHMXSGQ-UHFFFAOYSA-N
MW305.79 g/mol
LogP1.31
Rot. Bonds2

About 1-(2-tert-butylpyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(2-tert-butylpyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711070) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 1-(2-tert-butylpyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-tert-butylpyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711070
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name1-(2-tert-butylpyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCC(C)(C)n1nccc1N1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C11H16ClN3O3S/c1-11(2,3)15-9(4-5-13-15)14-7-8(6-10(14)16)19(12,17)18/h4-5,8H,6-7H2,1-3H3
InChIKeyQHAKSQYCHMXSGQ-UHFFFAOYSA-N
XLogP1.31
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylpyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(2-tert-butylpyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711070) is 1-(2-tert-butylpyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(2-tert-butylpyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(2-tert-butylpyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride is CC(C)(C)n1nccc1N1CC(S(=O)(=O)Cl)CC1=O.
What is the InChIKey of 1-(2-tert-butylpyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is QHAKSQYCHMXSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-11(2,3)15-9(4-5-13-15)14-7-8(6-10(14)16)19(12,17)18/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 1-(2-tert-butylpyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(2-tert-butylpyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 305.79 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylpyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).