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

C9H12F3N3O2S — CID 43159021

IUPAC1-(1,1-dioxothiolan-3-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1c(C(F)(F)F)nn(C2CCS(=O)(=O)C2)c1N
InChIInChI=1S/C9H12F3N3O2S/c1-5-7(9(10,11)12)14-15(8(5)13)6-2-3-18(16,17)4-6/h6H,2-4,13H2,1H3
InChIKeyBNLMPCJVANQXLN-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.15
Rot. Bonds1

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

1-(1,1-dioxothiolan-3-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 43159021) has the molecular formula C9H12F3N3O2S and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID43159021
Molecular FormulaC9H12F3N3O2S
Molecular Weight283.28 g/mol
Exact Mass283.06
IUPAC Name1-(1,1-dioxothiolan-3-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1c(C(F)(F)F)nn(C2CCS(=O)(=O)C2)c1N
InChIInChI=1S/C9H12F3N3O2S/c1-5-7(9(10,11)12)14-15(8(5)13)6-2-3-18(16,17)4-6/h6H,2-4,13H2,1H3
InChIKeyBNLMPCJVANQXLN-UHFFFAOYSA-N
XLogP1.15
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,1-dioxothiolan-3-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-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-(5-amino-3-methyl-1H-pyrazol-1-yl)tetrahydrothiophene 1,1-dioxide
CID 2772275
4-Methyl-2-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrazol-3-amine
CID 148100267
1-(1,1-Dioxothiolan-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 43159045
1-(1,1-Dioxothiolan-3-yl)-4-ethyl-3-(trifluoromethyl)pyrazol-5-amine
CID 43670928
1-(1,1-Dioxothiolan-3-yl)-4-propyl-3-(trifluoromethyl)pyrazol-5-amine
CID 79405702
1-(1,1-Dioxothiolan-3-yl)-5-(trifluoromethyl)pyrazol-3-amine
CID 79872618
1-(1,1-Dioxothiolan-3-yl)-4-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 116228741
4-fluoro-3-(methanesulfonylmethyl)-1-methyl-1H-pyrazol-5-amine
CID 165498910
N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2,2-trifluoroethanesulfonamide
CID 167806079
2-Butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
CID 15358849
2-Ethyl-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
CID 100917390
3-(5-Amino-3,4-dimethyl-1h-pyrazol-1-yl)tetrahydrothiophene 1,1-dioxide
CID 43159025

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine (CID 43159021) is 1-(1,1-dioxothiolan-3-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine is Cc1c(C(F)(F)F)nn(C2CCS(=O)(=O)C2)c1N.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is BNLMPCJVANQXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2S/c1-5-7(9(10,11)12)14-15(8(5)13)6-2-3-18(16,17)4-6/h6H,2-4,13H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine?
1-(1,1-dioxothiolan-3-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 283.28 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 43159021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).