N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,4-dioxane-2-carboxamide

C10H12F3N3O3 — CID 138008990

IUPACN-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,4-dioxane-2-carboxamide
SMILESCn1nc(NC(=O)C2COCCO2)cc1C(F)(F)F
InChIInChI=1S/C10H12F3N3O3/c1-16-7(10(11,12)13)4-8(15-16)14-9(17)6-5-18-2-3-19-6/h4,6H,2-3,5H2,1H3,(H,14,15,17)
InChIKeyRSMXZHBOIWHUTB-UHFFFAOYSA-N
MW279.22 g/mol
LogP0.79
Rot. Bonds2

About N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,4-dioxane-2-carboxamide

N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,4-dioxane-2-carboxamide (PubChem CID 138008990) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,4-dioxane-2-carboxamide
PubChem CID138008990
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC NameN-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,4-dioxane-2-carboxamide
SMILESCn1nc(NC(=O)C2COCCO2)cc1C(F)(F)F
InChIInChI=1S/C10H12F3N3O3/c1-16-7(10(11,12)13)4-8(15-16)14-9(17)6-5-18-2-3-19-6/h4,6H,2-3,5H2,1H3,(H,14,15,17)
InChIKeyRSMXZHBOIWHUTB-UHFFFAOYSA-N
XLogP0.79
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-butan-2-yl-5-methylpyrazol-3-yl)-2-ethoxypropanamide
CID 132304540
(2S,3S)-N-[2,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,4-dioxane-2-carboxamide
CID 136586285
(2S,3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-methyl-1,4-dioxane-2-carboxamide
CID 136586420
(2S,3S)-3-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,4-dioxane-2-carboxamide
CID 138017659
2-cyclohexyloxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide
CID 138049440
N-(1,5-dimethylpyrazol-3-yl)-3-methoxypropanamide
CID 35761217
2-(2-butoxyethoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 57792185
N-(2,5-dimethylpyrazol-3-yl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 57792237
N-(2-ethyl-5-methylpyrazol-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 45284658
N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 45284696
N-(2,5-dimethylpyrazol-3-yl)-1,4-dioxane-2-carboxamide
CID 47178760
N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-2-ylmethoxy)propanamide
CID 47443872

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,4-dioxane-2-carboxamide?
The IUPAC name of N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,4-dioxane-2-carboxamide (CID 138008990) is N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,4-dioxane-2-carboxamide is Cn1nc(NC(=O)C2COCCO2)cc1C(F)(F)F.
What is the InChIKey of N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,4-dioxane-2-carboxamide?
The InChIKey is RSMXZHBOIWHUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c1-16-7(10(11,12)13)4-8(15-16)14-9(17)6-5-18-2-3-19-6/h4,6H,2-3,5H2,1H3,(H,14,15,17).
What are the key properties of N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,4-dioxane-2-carboxamide?
N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,4-dioxane-2-carboxamide has a molecular weight of 279.22 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 138008990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).