1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride

C11H16ClN3O3S — CID 168710902

IUPAC1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCc1c(C(C)N2CC(S(=O)(=O)Cl)CC2=O)cnn1C
InChIInChI=1S/C11H16ClN3O3S/c1-7-10(5-13-14(7)3)8(2)15-6-9(4-11(15)16)19(12,17)18/h5,8-9H,4,6H2,1-3H3
InChIKeyDBLVUYSVIWYHEF-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.96
Rot. Bonds3

About 1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride

1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168710902) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168710902
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCc1c(C(C)N2CC(S(=O)(=O)Cl)CC2=O)cnn1C
InChIInChI=1S/C11H16ClN3O3S/c1-7-10(5-13-14(7)3)8(2)15-6-9(4-11(15)16)19(12,17)18/h5,8-9H,4,6H2,1-3H3
InChIKeyDBLVUYSVIWYHEF-UHFFFAOYSA-N
XLogP0.96
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-methylphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710901
5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidine-3-sulfonyl chloride
CID 168710917
1-[(1S)-1-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710964
5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride
CID 168711154
5-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-sulfonyl chloride
CID 168710911
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712000
1-(1-methylindazol-7-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711997
1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710947
5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168713177
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 47027427
1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714487
1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713179

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride (CID 168710902) is 1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride is Cc1c(C(C)N2CC(S(=O)(=O)Cl)CC2=O)cnn1C.
What is the InChIKey of 1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is DBLVUYSVIWYHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-7-10(5-13-14(7)3)8(2)15-6-9(4-11(15)16)19(12,17)18/h5,8-9H,4,6H2,1-3H3.
What are the key properties of 1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride?
1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 305.79 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168710902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).