[1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C12H18FN3O3S — CID 168674756

IUPAC[1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1c(C(C)N2CC(CS(=O)(=O)F)CC2=O)cnn1C
InChIInChI=1S/C12H18FN3O3S/c1-8-11(5-14-15(8)3)9(2)16-6-10(4-12(16)17)7-20(13,18)19/h5,9-10H,4,6-7H2,1-3H3
InChIKeyYTICDOBRQRFNNU-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.94
Rot. Bonds4

About [1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674756) has the molecular formula C12H18FN3O3S and a molecular weight of 303.36 g/mol. Its IUPAC name is [1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674756
Molecular FormulaC12H18FN3O3S
Molecular Weight303.36 g/mol
Exact Mass303.11
IUPAC Name[1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCc1c(C(C)N2CC(CS(=O)(=O)F)CC2=O)cnn1C
InChIInChI=1S/C12H18FN3O3S/c1-8-11(5-14-15(8)3)9(2)16-6-10(4-12(16)17)7-20(13,18)19/h5,9-10H,4,6-7H2,1-3H3
InChIKeyYTICDOBRQRFNNU-UHFFFAOYSA-N
XLogP0.94
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674756) is [1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is Cc1c(C(C)N2CC(CS(=O)(=O)F)CC2=O)cnn1C.
What is the InChIKey of [1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is YTICDOBRQRFNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O3S/c1-8-11(5-14-15(8)3)9(2)16-6-10(4-12(16)17)7-20(13,18)19/h5,9-10H,4,6-7H2,1-3H3.
What are the key properties of [1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 303.36 g/mol, XLogP of 0.94, 4 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-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).