N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C19H16F3N5O2 — CID 55933026

IUPACN-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)NCC(F)(F)F
InChIInChI=1S/C19H16F3N5O2/c20-19(21,22)12-25-16(28)10-24-18(29)15-11-27(14-6-2-1-3-7-14)26-17(15)13-5-4-8-23-9-13/h1-9,11H,10,12H2,(H,24,29)(H,25,28)
InChIKeyOOYONVYDBMCQDR-UHFFFAOYSA-N
MW403.36 g/mol
LogP2.34
Rot. Bonds6

About N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 55933026) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID55933026
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC NameN-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)NCC(F)(F)F
InChIInChI=1S/C19H16F3N5O2/c20-19(21,22)12-25-16(28)10-24-18(29)15-11-27(14-6-2-1-3-7-14)26-17(15)13-5-4-8-23-9-13/h1-9,11H,10,12H2,(H,24,29)(H,25,28)
InChIKeyOOYONVYDBMCQDR-UHFFFAOYSA-N
XLogP2.34
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9300157
N-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 24612015
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578
N-[(2-fluorophenyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8871062
1-phenyl-N-(2-phenylsulfanylethyl)-3-pyridin-3-ylpyrazole-4-carboxamide
CID 26444481
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate
CID 2381703
N-[(5-chlorothiophen-2-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 32829207
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 120946153
N-(3-imidazol-1-ylpropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 29432402
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 55933026) is N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is O=C(CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)NCC(F)(F)F.
What is the InChIKey of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is OOYONVYDBMCQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c20-19(21,22)12-25-16(28)10-24-18(29)15-11-27(14-6-2-1-3-7-14)26-17(15)13-5-4-8-23-9-13/h1-9,11H,10,12H2,(H,24,29)(H,25,28).
What are the key properties of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 403.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55933026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).