2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxan-4-yl)acetamide

C13H19F2N3O2 — CID 75405478

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxan-4-yl)acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NC1CCOCC1
InChIInChI=1S/C13H19F2N3O2/c1-8-11(9(2)18(17-8)13(14)15)7-12(19)16-10-3-5-20-6-4-10/h10,13H,3-7H2,1-2H3,(H,16,19)
InChIKeyBMFMEAYPLYJFJH-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.73
Rot. Bonds4

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxan-4-yl)acetamide

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxan-4-yl)acetamide (PubChem CID 75405478) has the molecular formula C13H19F2N3O2 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxan-4-yl)acetamide
PubChem CID75405478
Molecular FormulaC13H19F2N3O2
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxan-4-yl)acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NC1CCOCC1
InChIInChI=1S/C13H19F2N3O2/c1-8-11(9(2)18(17-8)13(14)15)7-12(19)16-10-3-5-20-6-4-10/h10,13H,3-7H2,1-2H3,(H,16,19)
InChIKeyBMFMEAYPLYJFJH-UHFFFAOYSA-N
XLogP1.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47018724
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47020141
4-[[[2-(1,3,5-Trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide
CID 56808466
N-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 110226048
N-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43044813
N-(3-ethoxypropyl)-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502113
N-(3-methoxypropyl)-5-methyl-1-(1-propan-2-ylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502139
ethyl N-[1-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentan-2-yl]carbamate
CID 48658242
5-methyl-1-(1-methylpiperidin-4-yl)-N-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 49675745
1-(1-isopropylpiperidin-4-yl)-N-(3-methoxypropyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 49675765
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide
CID 138036265
N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 31062541

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxan-4-yl)acetamide (CID 75405478) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxan-4-yl)acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)NC1CCOCC1.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is BMFMEAYPLYJFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O2/c1-8-11(9(2)18(17-8)13(14)15)7-12(19)16-10-3-5-20-6-4-10/h10,13H,3-7H2,1-2H3,(H,16,19).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxan-4-yl)acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 287.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 75405478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).