2,6-dimethyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperazine-1-carboxamide

C20H25F3N6O2 — CID 66693610

IUPAC2,6-dimethyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperazine-1-carboxamide
SMILESCC1CNCC(C)N1C(=O)NCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C20H25F3N6O2/c1-13-10-24-11-14(2)29(13)19(31)26-9-8-25-18(30)16-12-28(15-6-4-3-5-7-15)27-17(16)20(21,22)23/h3-7,12-14,24H,8-11H2,1-2H3,(H,25,30)(H,26,31)
InChIKeySDLXIXBNQKNCIT-UHFFFAOYSA-N
MW438.45 g/mol
LogP2.01
Rot. Bonds5

About 2,6-dimethyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperazine-1-carboxamide

2,6-dimethyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperazine-1-carboxamide (PubChem CID 66693610) has the molecular formula C20H25F3N6O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is 2,6-dimethyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperazine-1-carboxamide
PubChem CID66693610
Molecular FormulaC20H25F3N6O2
Molecular Weight438.45 g/mol
Exact Mass438.20
IUPAC Name2,6-dimethyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperazine-1-carboxamide
SMILESCC1CNCC(C)N1C(=O)NCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C20H25F3N6O2/c1-13-10-24-11-14(2)29(13)19(31)26-9-8-25-18(30)16-12-28(15-6-4-3-5-7-15)27-17(16)20(21,22)23/h3-7,12-14,24H,8-11H2,1-2H3,(H,25,30)(H,26,31)
InChIKeySDLXIXBNQKNCIT-UHFFFAOYSA-N
XLogP2.01
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N4-(4-fluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2808002
5-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 827598
N-(2,4-difluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811411
N-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850330
N-(2-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850353
N-(3,5-difluorophenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850668
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
N-benzyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850356
1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 33948385
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 33950497
N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide
CID 89741711
N-2,4-difluorophenyl-5-methyl-1-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-4-pyrazolecarboxamide
CID 137010044

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperazine-1-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperazine-1-carboxamide (CID 66693610) is 2,6-dimethyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperazine-1-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperazine-1-carboxamide is CC1CNCC(C)N1C(=O)NCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of 2,6-dimethyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperazine-1-carboxamide?
The InChIKey is SDLXIXBNQKNCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N6O2/c1-13-10-24-11-14(2)29(13)19(31)26-9-8-25-18(30)16-12-28(15-6-4-3-5-7-15)27-17(16)20(21,22)23/h3-7,12-14,24H,8-11H2,1-2H3,(H,25,30)(H,26,31).
What are the key properties of 2,6-dimethyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperazine-1-carboxamide?
2,6-dimethyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperazine-1-carboxamide has a molecular weight of 438.45 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 66693610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).