N-(1,1-dioxothiolan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C12H16F3N3O3S — CID 56725382

IUPACN-(1,1-dioxothiolan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H16F3N3O3S/c1-7-5-10(12(13,14)15)17-18(7)8(2)11(19)16-9-3-4-22(20,21)6-9/h5,8-9H,3-4,6H2,1-2H3,(H,16,19)
InChIKeyCNMFOSXPRAMORZ-UHFFFAOYSA-N
MW339.34 g/mol
LogP1.07
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-(1,1-dioxothiolan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 56725382) has the molecular formula C12H16F3N3O3S and a molecular weight of 339.34 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID56725382
Molecular FormulaC12H16F3N3O3S
Molecular Weight339.34 g/mol
Exact Mass339.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H16F3N3O3S/c1-7-5-10(12(13,14)15)17-18(7)8(2)11(19)16-9-3-4-22(20,21)6-9/h5,8-9H,3-4,6H2,1-2H3,(H,16,19)
InChIKeyCNMFOSXPRAMORZ-UHFFFAOYSA-N
XLogP1.07
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylpropanamide
CID 38640155
1-ethyl-4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]pyrazole-3-carboxamide
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N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 56725382) is N-(1,1-dioxothiolan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1cc(C(F)(F)F)nn1C(C)C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is CNMFOSXPRAMORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3S/c1-7-5-10(12(13,14)15)17-18(7)8(2)11(19)16-9-3-4-22(20,21)6-9/h5,8-9H,3-4,6H2,1-2H3,(H,16,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-(1,1-dioxothiolan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 339.34 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 56725382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).