2-(3-methylcyclohexyl)oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide

C14H20F3N3O2 — CID 86780893

IUPAC2-(3-methylcyclohexyl)oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
SMILESCC1CCCC(OCC(=O)Nc2cn(C)nc2C(F)(F)F)C1
InChIInChI=1S/C14H20F3N3O2/c1-9-4-3-5-10(6-9)22-8-12(21)18-11-7-20(2)19-13(11)14(15,16)17/h7,9-10H,3-6,8H2,1-2H3,(H,18,21)
InChIKeyKGDOHYJNBDWYSP-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.97
Rot. Bonds4

About 2-(3-methylcyclohexyl)oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide

2-(3-methylcyclohexyl)oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide (PubChem CID 86780893) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
PubChem CID86780893
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name2-(3-methylcyclohexyl)oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
SMILESCC1CCCC(OCC(=O)Nc2cn(C)nc2C(F)(F)F)C1
InChIInChI=1S/C14H20F3N3O2/c1-9-4-3-5-10(6-9)22-8-12(21)18-11-7-20(2)19-13(11)14(15,16)17/h7,9-10H,3-6,8H2,1-2H3,(H,18,21)
InChIKeyKGDOHYJNBDWYSP-UHFFFAOYSA-N
XLogP2.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dimethylpyrazol-4-yl)-2-pentoxyacetamide
CID 126816191
(2R,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167211969
(2R,4S,5R)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide
CID 167211970
N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 175806044
2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 75380702
(2S)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 97226409
(2R)-2-cyclohexyloxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 97226410
2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
CID 99776417
2-[(1S,3S)-3-methylcyclohexyl]oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
CID 99776418
2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
CID 99776419
2-[(1R,3S)-3-methylcyclohexyl]oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
CID 99776420
(4S)-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyloxolane-2-carboxamide
CID 166160302

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(3-methylcyclohexyl)oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide (CID 86780893) is 2-(3-methylcyclohexyl)oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(3-methylcyclohexyl)oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(3-methylcyclohexyl)oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide is CC1CCCC(OCC(=O)Nc2cn(C)nc2C(F)(F)F)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
The InChIKey is KGDOHYJNBDWYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-9-4-3-5-10(6-9)22-8-12(21)18-11-7-20(2)19-13(11)14(15,16)17/h7,9-10H,3-6,8H2,1-2H3,(H,18,21).
What are the key properties of 2-(3-methylcyclohexyl)oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
2-(3-methylcyclohexyl)oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide has a molecular weight of 319.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 86780893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).