1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C13H13FN4O3S — CID 168714693

IUPAC1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCn1nc(-c2cccnc2)cc1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C13H13FN4O3S/c1-17-12(6-11(16-17)9-3-2-4-15-7-9)18-8-10(5-13(18)19)22(14,20)21/h2-4,6-7,10H,5,8H2,1H3
InChIKeyODLGHNMDGXAKJM-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.89
Rot. Bonds3

About 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714693) has the molecular formula C13H13FN4O3S and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714693
Molecular FormulaC13H13FN4O3S
Molecular Weight324.34 g/mol
Exact Mass324.07
IUPAC Name1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCn1nc(-c2cccnc2)cc1N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C13H13FN4O3S/c1-17-12(6-11(16-17)9-3-2-4-15-7-9)18-8-10(5-13(18)19)22(14,20)21/h2-4,6-7,10H,5,8H2,1H3
InChIKeyODLGHNMDGXAKJM-UHFFFAOYSA-N
XLogP0.89
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168718021
S-[1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705858
4-(azidomethyl)-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidin-2-one
CID 168657039
[1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676288
1-(4-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715715
5-oxo-1-(2-pyridin-3-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168714925
1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714172
methyl 1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 168694008
5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride
CID 168715472
1-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714555
4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 168715696
1-[2-(2-hydroxyethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716142

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714693) is 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is Cn1nc(-c2cccnc2)cc1N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is ODLGHNMDGXAKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O3S/c1-17-12(6-11(16-17)9-3-2-4-15-7-9)18-8-10(5-13(18)19)22(14,20)21/h2-4,6-7,10H,5,8H2,1H3.
What are the key properties of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 324.34 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).