2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(1R,2R)-2-hydroxycyclopentyl]acetamide

C14H20F3N3O2 — CID 97329978

IUPAC2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(1R,2R)-2-hydroxycyclopentyl]acetamide
SMILESCc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C14H20F3N3O2/c1-8-10(9(2)20(19-8)7-14(15,16)17)6-13(22)18-11-4-3-5-12(11)21/h11-12,21H,3-7H2,1-2H3,(H,18,22)/t11-,12-/m1/s1
InChIKeyASTPZEJINGUMKM-VXGBXAGGSA-N
MW319.33 g/mol
LogP1.63
Rot. Bonds4

About 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(1R,2R)-2-hydroxycyclopentyl]acetamide

2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(1R,2R)-2-hydroxycyclopentyl]acetamide (PubChem CID 97329978) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(1R,2R)-2-hydroxycyclopentyl]acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(1R,2R)-2-hydroxycyclopentyl]acetamide
PubChem CID97329978
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(1R,2R)-2-hydroxycyclopentyl]acetamide
SMILESCc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C14H20F3N3O2/c1-8-10(9(2)20(19-8)7-14(15,16)17)6-13(22)18-11-4-3-5-12(11)21/h11-12,21H,3-7H2,1-2H3,(H,18,22)/t11-,12-/m1/s1
InChIKeyASTPZEJINGUMKM-VXGBXAGGSA-N
XLogP1.63
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(1R,2R)-2-hydroxycyclopentyl]acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(1R,2R)-2-hydroxycyclopentyl]acetamide (CID 97329978) is 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(1R,2R)-2-hydroxycyclopentyl]acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(1R,2R)-2-hydroxycyclopentyl]acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(1R,2R)-2-hydroxycyclopentyl]acetamide is Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@@H]1CCC[C@H]1O.
What is the InChIKey of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(1R,2R)-2-hydroxycyclopentyl]acetamide?
The InChIKey is ASTPZEJINGUMKM-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-8-10(9(2)20(19-8)7-14(15,16)17)6-13(22)18-11-4-3-5-12(11)21/h11-12,21H,3-7H2,1-2H3,(H,18,22)/t11-,12-/m1/s1.
What are the key properties of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(1R,2R)-2-hydroxycyclopentyl]acetamide?
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(1R,2R)-2-hydroxycyclopentyl]acetamide has a molecular weight of 319.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(1R,2R)-2-hydroxycyclopentyl]acetamide is sourced from PubChem (CID 97329978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).