5-(1,1-dioxothiolan-2-yl)-4-fluoro-1H-pyrazol-3-amine

C7H10FN3O2S — CID 165499253

IUPAC5-(1,1-dioxothiolan-2-yl)-4-fluoro-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCCS2(=O)=O)c1F
InChIInChI=1S/C7H10FN3O2S/c8-5-6(10-11-7(5)9)4-2-1-3-14(4,12)13/h4H,1-3H2,(H3,9,10,11)
InChIKeyOQKCDUXRQJWHNF-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.38
Rot. Bonds1

About 5-(1,1-dioxothiolan-2-yl)-4-fluoro-1H-pyrazol-3-amine

5-(1,1-dioxothiolan-2-yl)-4-fluoro-1H-pyrazol-3-amine (PubChem CID 165499253) has the molecular formula C7H10FN3O2S and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-(1,1-dioxothiolan-2-yl)-4-fluoro-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1,1-dioxothiolan-2-yl)-4-fluoro-1H-pyrazol-3-amine
PubChem CID165499253
Molecular FormulaC7H10FN3O2S
Molecular Weight219.24 g/mol
Exact Mass219.05
IUPAC Name5-(1,1-dioxothiolan-2-yl)-4-fluoro-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCCS2(=O)=O)c1F
InChIInChI=1S/C7H10FN3O2S/c8-5-6(10-11-7(5)9)4-2-1-3-14(4,12)13/h4H,1-3H2,(H3,9,10,11)
InChIKeyOQKCDUXRQJWHNF-UHFFFAOYSA-N
XLogP0.38
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxothiolan-2-yl)-4-fluoro-1H-pyrazol-3-amine?
The IUPAC name of 5-(1,1-dioxothiolan-2-yl)-4-fluoro-1H-pyrazol-3-amine (CID 165499253) is 5-(1,1-dioxothiolan-2-yl)-4-fluoro-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1,1-dioxothiolan-2-yl)-4-fluoro-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1,1-dioxothiolan-2-yl)-4-fluoro-1H-pyrazol-3-amine is Nc1n[nH]c(C2CCCS2(=O)=O)c1F.
What is the InChIKey of 5-(1,1-dioxothiolan-2-yl)-4-fluoro-1H-pyrazol-3-amine?
The InChIKey is OQKCDUXRQJWHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2S/c8-5-6(10-11-7(5)9)4-2-1-3-14(4,12)13/h4H,1-3H2,(H3,9,10,11).
What are the key properties of 5-(1,1-dioxothiolan-2-yl)-4-fluoro-1H-pyrazol-3-amine?
5-(1,1-dioxothiolan-2-yl)-4-fluoro-1H-pyrazol-3-amine has a molecular weight of 219.24 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxothiolan-2-yl)-4-fluoro-1H-pyrazol-3-amine is sourced from PubChem (CID 165499253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).