1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C8H11FN4O3S — CID 168714641

IUPAC1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1[nH]nc(N2CC(S(=O)(=O)F)CC2=O)c1N
InChIInChI=1S/C8H11FN4O3S/c1-4-7(10)8(12-11-4)13-3-5(2-6(13)14)17(9,15)16/h5H,2-3,10H2,1H3,(H,11,12)
InChIKeyKMEACNQIIGABCX-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.30
Rot. Bonds2

About 1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714641) has the molecular formula C8H11FN4O3S and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714641
Molecular FormulaC8H11FN4O3S
Molecular Weight262.27 g/mol
Exact Mass262.05
IUPAC Name1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1[nH]nc(N2CC(S(=O)(=O)F)CC2=O)c1N
InChIInChI=1S/C8H11FN4O3S/c1-4-7(10)8(12-11-4)13-3-5(2-6(13)14)17(9,15)16/h5H,2-3,10H2,1H3,(H,11,12)
InChIKeyKMEACNQIIGABCX-UHFFFAOYSA-N
XLogP-0.30
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714641) is 1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is Cc1[nH]nc(N2CC(S(=O)(=O)F)CC2=O)c1N.
What is the InChIKey of 1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is KMEACNQIIGABCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O3S/c1-4-7(10)8(12-11-4)13-3-5(2-6(13)14)17(9,15)16/h5H,2-3,10H2,1H3,(H,11,12).
What are the key properties of 1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 262.27 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).