N-benzyl-N-[(2S)-2-hydroxypropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C16H18F3N3O2 — CID 95778125

IUPACN-benzyl-N-[(2S)-2-hydroxypropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESC[C@H](O)CN(Cc1ccccc1)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N3O2/c1-12(23)9-21(10-13-5-3-2-4-6-13)15(24)11-22-8-7-14(20-22)16(17,18)19/h2-8,12,23H,9-11H2,1H3/t12-/m0/s1
InChIKeyYKOJLEDKHZZCBH-LBPRGKRZSA-N
MW341.33 g/mol
LogP2.31
Rot. Bonds6

About N-benzyl-N-[(2S)-2-hydroxypropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-benzyl-N-[(2S)-2-hydroxypropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 95778125) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-benzyl-N-[(2S)-2-hydroxypropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(2S)-2-hydroxypropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID95778125
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC NameN-benzyl-N-[(2S)-2-hydroxypropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESC[C@H](O)CN(Cc1ccccc1)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N3O2/c1-12(23)9-21(10-13-5-3-2-4-6-13)15(24)11-22-8-7-14(20-22)16(17,18)19/h2-8,12,23H,9-11H2,1H3/t12-/m0/s1
InChIKeyYKOJLEDKHZZCBH-LBPRGKRZSA-N
XLogP2.31
TPSA58.36 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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 134028338
N-(2-aminoethyl)-N-(2-phenylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide;hydrochloride
CID 120884403
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 79291704
N-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 60668203
(2S,3R)-3-hydroxy-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]butanoic acid
CID 104965008
2-[cyclopropylmethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid
CID 43655345
propan-2-yl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 60643569
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 71684734
2-(3-aminopyrazol-1-yl)-N-benzyl-N-propylacetamide
CID 62102852
3-methyl-2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]butanoic acid
CID 65220362
N-(1,3-benzothiazol-2-yl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 34253736
N-(2-hydroxyethyl)-N-prop-2-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 115776316

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2S)-2-hydroxypropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-benzyl-N-[(2S)-2-hydroxypropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 95778125) is N-benzyl-N-[(2S)-2-hydroxypropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-[(2S)-2-hydroxypropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-[(2S)-2-hydroxypropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is C[C@H](O)CN(Cc1ccccc1)C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-benzyl-N-[(2S)-2-hydroxypropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is YKOJLEDKHZZCBH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-12(23)9-21(10-13-5-3-2-4-6-13)15(24)11-22-8-7-14(20-22)16(17,18)19/h2-8,12,23H,9-11H2,1H3/t12-/m0/s1.
What are the key properties of N-benzyl-N-[(2S)-2-hydroxypropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-benzyl-N-[(2S)-2-hydroxypropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 341.33 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2S)-2-hydroxypropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 95778125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).