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

C14H16FN3O2S — CID 83204356

IUPAC3-(3-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine
SMILESCC1(n2cc(N)c(-c3cccc(F)c3)n2)CCS(=O)(=O)C1
InChIInChI=1S/C14H16FN3O2S/c1-14(5-6-21(19,20)9-14)18-8-12(16)13(17-18)10-3-2-4-11(15)7-10/h2-4,7-8H,5-6,9,16H2,1H3
InChIKeyGBICLBQYXDGHAW-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.81
Rot. Bonds2

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

3-(3-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine (PubChem CID 83204356) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine
PubChem CID83204356
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name3-(3-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine
SMILESCC1(n2cc(N)c(-c3cccc(F)c3)n2)CCS(=O)(=O)C1
InChIInChI=1S/C14H16FN3O2S/c1-14(5-6-21(19,20)9-14)18-8-12(16)13(17-18)10-3-2-4-11(15)7-10/h2-4,7-8H,5-6,9,16H2,1H3
InChIKeyGBICLBQYXDGHAW-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

Analyze 3-(3-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butan-2-yl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine
CID 114274721
3-(3-fluorophenyl)-1-propylpyrazol-4-amine
CID 83223075
1-(3-methyl-1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpyrazole-4-carboxylic acid
CID 62091195
(5Z)-5-[[3,5-dimethyl-1-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]pyrazol-4-yl]methylidene]-4-(3-fluorophenyl)imino-1,3-thiazolidin-2-one
CID 136899522
(3R)-N-[(3-fluorophenyl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 129364703
1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)pyrazol-4-amine
CID 83222344
5-[5-(3-fluorophenyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 75629884
4-(3-bromophenyl)-3-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43560827
3-(3-bromophenyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43158704
4-(3-fluorophenyl)naphthalen-1-amine
CID 171396853
1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 114872035
2-(3-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 25473740

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine?
The IUPAC name of 3-(3-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine (CID 83204356) is 3-(3-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine?
The canonical SMILES for 3-(3-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine is CC1(n2cc(N)c(-c3cccc(F)c3)n2)CCS(=O)(=O)C1.
What is the InChIKey of 3-(3-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine?
The InChIKey is GBICLBQYXDGHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-14(5-6-21(19,20)9-14)18-8-12(16)13(17-18)10-3-2-4-11(15)7-10/h2-4,7-8H,5-6,9,16H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine?
3-(3-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-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-(3-fluorophenyl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine is sourced from PubChem (CID 83204356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).