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

C10H14F3N3O2S — CID 43670928

IUPAC1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCCc1c(C(F)(F)F)nn(C2CCS(=O)(=O)C2)c1N
InChIInChI=1S/C10H14F3N3O2S/c1-2-7-8(10(11,12)13)15-16(9(7)14)6-3-4-19(17,18)5-6/h6H,2-5,14H2,1H3
InChIKeyOPTIMNLYBCEIQT-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.41
Rot. Bonds2

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

1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 43670928) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID43670928
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCCc1c(C(F)(F)F)nn(C2CCS(=O)(=O)C2)c1N
InChIInChI=1S/C10H14F3N3O2S/c1-2-7-8(10(11,12)13)15-16(9(7)14)6-3-4-19(17,18)5-6/h6H,2-5,14H2,1H3
InChIKeyOPTIMNLYBCEIQT-UHFFFAOYSA-N
XLogP1.41
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide
CID 90162772
4-[(Z)-[1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
CID 9146921
4-[(Z)-[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
CID 9146927
4-[[1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
CID 23377060
4-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
CID 23377061
1-(1,1-Dioxothiolan-3-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine
CID 43159021
N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-2,2,2-trifluoroethanamine
CID 43406717
1-(1,1-Dioxothiolan-3-yl)-4-propyl-3-(trifluoromethyl)pyrazol-5-amine
CID 79405702
3-(1,1-Difluoroethyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 114249499
N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-2,2-difluoroethanamine
CID 115405690
1-(1,1-Dioxothiolan-3-yl)-4-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 116228741
N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,2,2-trifluoroethanesulfonamide
CID 167806079

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(trifluoromethyl)pyrazol-5-amine (CID 43670928) is 1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(trifluoromethyl)pyrazol-5-amine is CCc1c(C(F)(F)F)nn(C2CCS(=O)(=O)C2)c1N.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is OPTIMNLYBCEIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-2-7-8(10(11,12)13)15-16(9(7)14)6-3-4-19(17,18)5-6/h6H,2-5,14H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(trifluoromethyl)pyrazol-5-amine?
1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 297.30 g/mol, XLogP of 1.41, 2 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-ethyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 43670928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).