3-(4-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-5-amine

C14H16FN3O2S — CID 60925070

IUPAC3-(4-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-5-amine
SMILESCC1(n2nc(-c3ccc(F)cc3)cc2N)CCS(=O)(=O)C1
InChIInChI=1S/C14H16FN3O2S/c1-14(6-7-21(19,20)9-14)18-13(16)8-12(17-18)10-2-4-11(15)5-3-10/h2-5,8H,6-7,9,16H2,1H3
InChIKeyGYGPCDSNDMESNK-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.81
Rot. Bonds2

About 3-(4-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-5-amine

3-(4-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-5-amine (PubChem CID 60925070) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-5-amine
PubChem CID60925070
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name3-(4-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-5-amine
SMILESCC1(n2nc(-c3ccc(F)cc3)cc2N)CCS(=O)(=O)C1
InChIInChI=1S/C14H16FN3O2S/c1-14(6-7-21(19,20)9-14)18-13(16)8-12(17-18)10-2-4-11(15)5-3-10/h2-5,8H,6-7,9,16H2,1H3
InChIKeyGYGPCDSNDMESNK-UHFFFAOYSA-N
XLogP1.81
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-5-amine?
The IUPAC name of 3-(4-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-5-amine (CID 60925070) is 3-(4-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-5-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-5-amine?
The canonical SMILES for 3-(4-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-5-amine is CC1(n2nc(-c3ccc(F)cc3)cc2N)CCS(=O)(=O)C1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-5-amine?
The InChIKey is GYGPCDSNDMESNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-14(6-7-21(19,20)9-14)18-13(16)8-12(17-18)10-2-4-11(15)5-3-10/h2-5,8H,6-7,9,16H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-5-amine?
3-(4-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-5-amine has a molecular weight of 309.37 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-5-amine is sourced from PubChem (CID 60925070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).