4,4,4-trifluoro-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]butanamide

C16H18F3N3O2 — CID 125164865

IUPAC4,4,4-trifluoro-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]butanamide
SMILESCOc1ccc(-n2cc([C@@H](C)NC(=O)CCC(F)(F)F)cn2)cc1
InChIInChI=1S/C16H18F3N3O2/c1-11(21-15(23)7-8-16(17,18)19)12-9-20-22(10-12)13-3-5-14(24-2)6-4-13/h3-6,9-11H,7-8H2,1-2H3,(H,21,23)/t11-/m1/s1
InChIKeyFSJCNDGGSLWSJF-LLVKDONJSA-N
MW341.33 g/mol
LogP3.40
Rot. Bonds6

About 4,4,4-trifluoro-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]butanamide

4,4,4-trifluoro-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]butanamide (PubChem CID 125164865) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]butanamide
PubChem CID125164865
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name4,4,4-trifluoro-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]butanamide
SMILESCOc1ccc(-n2cc([C@@H](C)NC(=O)CCC(F)(F)F)cn2)cc1
InChIInChI=1S/C16H18F3N3O2/c1-11(21-15(23)7-8-16(17,18)19)12-9-20-22(10-12)13-3-5-14(24-2)6-4-13/h3-6,9-11H,7-8H2,1-2H3,(H,21,23)/t11-/m1/s1
InChIKeyFSJCNDGGSLWSJF-LLVKDONJSA-N
XLogP3.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[(1S)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]propanamide
CID 125159370
2-ethylsulfanyl-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide
CID 125159919
2-ethylsulfanyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide
CID 118760994
3-(azepan-1-yl)-N-[(1S)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]propanamide
CID 125175106
2-(2,5-dioxoimidazolidin-1-yl)-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]acetamide
CID 90653845
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1S)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methylurea
CID 125439129
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methylurea
CID 125439130
N-[(1S)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97124136
1-cyclopropyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172664827
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 81364541
2-ethyl-N-[1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide;formic acid
CID 163341143
3-(4-methoxyphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 24644422

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]butanamide (CID 125164865) is 4,4,4-trifluoro-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]butanamide is COc1ccc(-n2cc([C@@H](C)NC(=O)CCC(F)(F)F)cn2)cc1.
What is the InChIKey of 4,4,4-trifluoro-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]butanamide?
The InChIKey is FSJCNDGGSLWSJF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-11(21-15(23)7-8-16(17,18)19)12-9-20-22(10-12)13-3-5-14(24-2)6-4-13/h3-6,9-11H,7-8H2,1-2H3,(H,21,23)/t11-/m1/s1.
What are the key properties of 4,4,4-trifluoro-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]butanamide?
4,4,4-trifluoro-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]butanamide has a molecular weight of 341.33 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(1R)-1-[1-(4-methoxyphenyl)pyrazol-4-yl]ethyl]butanamide is sourced from PubChem (CID 125164865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).