N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C18H20F3N5O2 — CID 138015949

IUPACN-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1c([C@@H]2[C@@H](CNC(=O)c3ccnc(C(F)(F)F)c3)CC(=O)N2C)cnn1C
InChIInChI=1S/C18H20F3N5O2/c1-10-13(9-24-26(10)3)16-12(7-15(27)25(16)2)8-23-17(28)11-4-5-22-14(6-11)18(19,20)21/h4-6,9,12,16H,7-8H2,1-3H3,(H,23,28)/t12-,16+/m1/s1
InChIKeyIZOGPGDTVRBJSM-WBMJQRKESA-N
MW395.39 g/mol
LogP2.09
Rot. Bonds4

About N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 138015949) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID138015949
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC NameN-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1c([C@@H]2[C@@H](CNC(=O)c3ccnc(C(F)(F)F)c3)CC(=O)N2C)cnn1C
InChIInChI=1S/C18H20F3N5O2/c1-10-13(9-24-26(10)3)16-12(7-15(27)25(16)2)8-23-17(28)11-4-5-22-14(6-11)18(19,20)21/h4-6,9,12,16H,7-8H2,1-3H3,(H,23,28)/t12-,16+/m1/s1
InChIKeyIZOGPGDTVRBJSM-WBMJQRKESA-N
XLogP2.09
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 138015949) is N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1c([C@@H]2[C@@H](CNC(=O)c3ccnc(C(F)(F)F)c3)CC(=O)N2C)cnn1C.
What is the InChIKey of N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is IZOGPGDTVRBJSM-WBMJQRKESA-N. The full InChI is InChI=1S/C18H20F3N5O2/c1-10-13(9-24-26(10)3)16-12(7-15(27)25(16)2)8-23-17(28)11-4-5-22-14(6-11)18(19,20)21/h4-6,9,12,16H,7-8H2,1-3H3,(H,23,28)/t12-,16+/m1/s1.
What are the key properties of N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 138015949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).