5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride

C8H10FN3O3S — CID 168715036

IUPAC5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1Cc1cn[nH]c1
InChIInChI=1S/C8H10FN3O3S/c9-16(14,15)7-1-8(13)12(5-7)4-6-2-10-11-3-6/h2-3,7H,1,4-5H2,(H,10,11)
InChIKeyRBOJCXZRCQDRPU-UHFFFAOYSA-N
MW247.25 g/mol
LogP-0.19
Rot. Bonds3

About 5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride

5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride (PubChem CID 168715036) has the molecular formula C8H10FN3O3S and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride
PubChem CID168715036
Molecular FormulaC8H10FN3O3S
Molecular Weight247.25 g/mol
Exact Mass247.04
IUPAC Name5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1Cc1cn[nH]c1
InChIInChI=1S/C8H10FN3O3S/c9-16(14,15)7-1-8(13)12(5-7)4-6-2-10-11-3-6/h2-3,7H,1,4-5H2,(H,10,11)
InChIKeyRBOJCXZRCQDRPU-UHFFFAOYSA-N
XLogP-0.19
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676497
[5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676633
[5-oxo-1-(1H-pyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677464
1-[(1-Methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714711
5-oxo-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
CID 168714900
5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-sulfonyl fluoride
CID 168715868
2-(1,1-dioxothiolan-3-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54893819
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54897068
3-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60967570
1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione
CID 60977309
2-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 61357055
2-methyl-2-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 64017332

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride (CID 168715036) is 5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1Cc1cn[nH]c1.
What is the InChIKey of 5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride?
The InChIKey is RBOJCXZRCQDRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3S/c9-16(14,15)7-1-8(13)12(5-7)4-6-2-10-11-3-6/h2-3,7H,1,4-5H2,(H,10,11).
What are the key properties of 5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride has a molecular weight of 247.25 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).