N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]hexanamide

C16H25F3N4O2 — CID 3776710

IUPACN-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]hexanamide
SMILESCCCCCC(=O)NCc1c(C(F)(F)F)nn(C)c1N1CCOCC1
InChIInChI=1S/C16H25F3N4O2/c1-3-4-5-6-13(24)20-11-12-14(16(17,18)19)21-22(2)15(12)23-7-9-25-10-8-23/h3-11H2,1-2H3,(H,20,24)
InChIKeyVLENDKFODGKBEU-UHFFFAOYSA-N
MW362.40 g/mol
LogP2.47
Rot. Bonds7

About N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]hexanamide

N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]hexanamide (PubChem CID 3776710) has the molecular formula C16H25F3N4O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]hexanamide.

Molecular Properties

Compound NameN-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]hexanamide
PubChem CID3776710
Molecular FormulaC16H25F3N4O2
Molecular Weight362.40 g/mol
Exact Mass362.19
IUPAC NameN-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]hexanamide
SMILESCCCCCC(=O)NCc1c(C(F)(F)F)nn(C)c1N1CCOCC1
InChIInChI=1S/C16H25F3N4O2/c1-3-4-5-6-13(24)20-11-12-14(16(17,18)19)21-22(2)15(12)23-7-9-25-10-8-23/h3-11H2,1-2H3,(H,20,24)
InChIKeyVLENDKFODGKBEU-UHFFFAOYSA-N
XLogP2.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pentanamide
CID 72718087
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 43167979
N-(2-hydroxy-3-morpholin-4-ylpropyl)pentanamide
CID 110887202
(Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide
CID 169211001
N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid
CID 172692510
N'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N'-methyloctanehydrazide
CID 5297351
N-(2,6-dimethyl-4-morpholin-4-ylphenyl)octanamide
CID 11508231
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
N-[(4-thiomorpholin-4-ylphenyl)methyl]octanamide
CID 60521526
CID 88757544
CID 88757544
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050

Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]hexanamide?
The IUPAC name of N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]hexanamide (CID 3776710) is N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]hexanamide.
What is the SMILES notation for N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]hexanamide?
The canonical SMILES for N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]hexanamide is CCCCCC(=O)NCc1c(C(F)(F)F)nn(C)c1N1CCOCC1.
What is the InChIKey of N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]hexanamide?
The InChIKey is VLENDKFODGKBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O2/c1-3-4-5-6-13(24)20-11-12-14(16(17,18)19)21-22(2)15(12)23-7-9-25-10-8-23/h3-11H2,1-2H3,(H,20,24).
What are the key properties of N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]hexanamide?
N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]hexanamide has a molecular weight of 362.40 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]hexanamide is sourced from PubChem (CID 3776710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).