N-(2-propan-2-ylphenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide

C17H21F3N4O — CID 75451889

IUPACN-(2-propan-2-ylphenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
SMILESCC(Nc1ccn(CC(F)(F)F)n1)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C17H21F3N4O/c1-11(2)13-6-4-5-7-14(13)22-16(25)12(3)21-15-8-9-24(23-15)10-17(18,19)20/h4-9,11-12H,10H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyGBMAIWCPXAKUIB-UHFFFAOYSA-N
MW354.38 g/mol
LogP4.01
Rot. Bonds6

About N-(2-propan-2-ylphenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide

N-(2-propan-2-ylphenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide (PubChem CID 75451889) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
PubChem CID75451889
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC NameN-(2-propan-2-ylphenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
SMILESCC(Nc1ccn(CC(F)(F)F)n1)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C17H21F3N4O/c1-11(2)13-6-4-5-7-14(13)22-16(25)12(3)21-15-8-9-24(23-15)10-17(18,19)20/h4-9,11-12H,10H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyGBMAIWCPXAKUIB-UHFFFAOYSA-N
XLogP4.01
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
CID 75451888
N-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 115929500
4-[2-[[1-(2,2-dimethylpropyl)pyrazol-3-yl]amino]propanoylamino]benzamide
CID 167822657
(3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 136585572
(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 35922425
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea
CID 111976218
(2R)-2-(3-methylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 39415589
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819
2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]propan-1-one
CID 118673377
(2S)-N-(4-methylphenyl)-2-(2-propan-2-ylanilino)propanamide
CID 7986637
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
2-nitroso-N-(2-propan-2-ylphenyl)acetamide
CID 91475814

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide (CID 75451889) is N-(2-propan-2-ylphenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide is CC(Nc1ccn(CC(F)(F)F)n1)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of N-(2-propan-2-ylphenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide?
The InChIKey is GBMAIWCPXAKUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O/c1-11(2)13-6-4-5-7-14(13)22-16(25)12(3)21-15-8-9-24(23-15)10-17(18,19)20/h4-9,11-12H,10H2,1-3H3,(H,21,23)(H,22,25).
What are the key properties of N-(2-propan-2-ylphenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide?
N-(2-propan-2-ylphenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide has a molecular weight of 354.38 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide is sourced from PubChem (CID 75451889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).