2-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide

C10H14F3N3OS — CID 67351549

IUPAC2-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide
SMILESCn1cc(C=NS(=O)C(C)(C)C)c(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3OS/c1-9(2,3)18(17)14-5-7-6-16(4)15-8(7)10(11,12)13/h5-6H,1-4H3
InChIKeyDOASWSUFTDZDMS-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.32
Rot. Bonds2

About 2-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide

2-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide (PubChem CID 67351549) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide
PubChem CID67351549
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name2-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide
SMILESCn1cc(C=NS(=O)C(C)(C)C)c(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3OS/c1-9(2,3)18(17)14-5-7-6-16(4)15-8(7)10(11,12)13/h5-6H,1-4H3
InChIKeyDOASWSUFTDZDMS-UHFFFAOYSA-N
XLogP2.32
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine
CID 59818031
4-(bromomethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 69148193
4-ethynyl-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 90168109
[4-(difluoromethyl)-1-methyl-1H-pyrazol-3-yl]methanamine
CID 121351490
4-Methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-3-(trifluoromethyl)pyrazole
CID 2795926
1,3,4-Trimethylpyrazole
CID 2733984
(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine
CID 53487050
1,4-Dimethyl-5-(trifluoromethyl)-1H-pyrazole
CID 15420924
[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanamine
CID 126844201
N-methyl-N-[(Z)-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethylidene]amino]methanamine
CID 178346340
N-[2-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]ethyl]methanesulfonamide
CID 75386939
1-(difluoromethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19576580

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide (CID 67351549) is 2-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide is Cn1cc(C=NS(=O)C(C)(C)C)c(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide?
The InChIKey is DOASWSUFTDZDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-9(2,3)18(17)14-5-7-6-16(4)15-8(7)10(11,12)13/h5-6H,1-4H3.
What are the key properties of 2-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide?
2-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide has a molecular weight of 281.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]propane-2-sulfinamide is sourced from PubChem (CID 67351549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).