1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C10H14FN3O3S — CID 168714487

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1c(CN2CC(S(=O)(=O)F)CC2=O)cnn1C
InChIInChI=1S/C10H14FN3O3S/c1-7-8(4-12-13(7)2)5-14-6-9(3-10(14)15)18(11,16)17/h4,9H,3,5-6H2,1-2H3
InChIKeyASMSVFXNIFTYHU-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.13
Rot. Bonds3

About 1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714487) has the molecular formula C10H14FN3O3S and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714487
Molecular FormulaC10H14FN3O3S
Molecular Weight275.31 g/mol
Exact Mass275.07
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1c(CN2CC(S(=O)(=O)F)CC2=O)cnn1C
InChIInChI=1S/C10H14FN3O3S/c1-7-8(4-12-13(7)2)5-14-6-9(3-10(14)15)18(11,16)17/h4,9H,3,5-6H2,1-2H3
InChIKeyASMSVFXNIFTYHU-UHFFFAOYSA-N
XLogP0.13
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride with MolForge

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

Launch Full Analysis

Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 106033262
(4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-2-one
CID 97281019
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714138
1-[(2,5-difluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714971
1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714573
5-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-3-sulfonyl fluoride
CID 168715104
5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168714934
1-(2,2-dimethylpropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713447
1-[(2-bromo-5-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714969
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713605
5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride
CID 168715026
1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714823

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714487) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride is Cc1c(CN2CC(S(=O)(=O)F)CC2=O)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is ASMSVFXNIFTYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3S/c1-7-8(4-12-13(7)2)5-14-6-9(3-10(14)15)18(11,16)17/h4,9H,3,5-6H2,1-2H3.
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 275.31 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).