(2S)-N-[(3-hydroxyphenyl)methyl]-N-methyl-2-phenyl-2-pyrazol-1-ylacetamide

C19H19N3O2 — CID 94817737

IUPAC(2S)-N-[(3-hydroxyphenyl)methyl]-N-methyl-2-phenyl-2-pyrazol-1-ylacetamide
SMILESCN(Cc1cccc(O)c1)C(=O)[C@H](c1ccccc1)n1cccn1
InChIInChI=1S/C19H19N3O2/c1-21(14-15-7-5-10-17(23)13-15)19(24)18(22-12-6-11-20-22)16-8-3-2-4-9-16/h2-13,18,23H,14H2,1H3/t18-/m0/s1
InChIKeyRGLHPPXFLDTRFI-SFHVURJKSA-N
MW321.38 g/mol
LogP2.84
Rot. Bonds5

About (2S)-N-[(3-hydroxyphenyl)methyl]-N-methyl-2-phenyl-2-pyrazol-1-ylacetamide

(2S)-N-[(3-hydroxyphenyl)methyl]-N-methyl-2-phenyl-2-pyrazol-1-ylacetamide (PubChem CID 94817737) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2S)-N-[(3-hydroxyphenyl)methyl]-N-methyl-2-phenyl-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound Name(2S)-N-[(3-hydroxyphenyl)methyl]-N-methyl-2-phenyl-2-pyrazol-1-ylacetamide
PubChem CID94817737
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(2S)-N-[(3-hydroxyphenyl)methyl]-N-methyl-2-phenyl-2-pyrazol-1-ylacetamide
SMILESCN(Cc1cccc(O)c1)C(=O)[C@H](c1ccccc1)n1cccn1
InChIInChI=1S/C19H19N3O2/c1-21(14-15-7-5-10-17(23)13-15)19(24)18(22-12-6-11-20-22)16-8-3-2-4-9-16/h2-13,18,23H,14H2,1H3/t18-/m0/s1
InChIKeyRGLHPPXFLDTRFI-SFHVURJKSA-N
XLogP2.84
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbutanamide
CID 113416227
1-[2-[methyl-(2-phenyl-2-pyrazol-1-ylacetyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236257
(2S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylbutanamide
CID 61164005
N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 115589835
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
4-amino-5-[(3-hydroxyphenyl)methyl-methylamino]-5-oxopentanoic acid
CID 64890296
phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate
CID 64592873
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid
CID 60951116
(2S,3S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164196
3-[[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]methyl]phenol
CID 71906647
N-[(3-acetamidophenyl)methyl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 167768927
2-(aminomethyl)-N-[(3-hydroxyphenyl)methyl]-N,4,4-trimethylpentanamide
CID 107471648

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-hydroxyphenyl)methyl]-N-methyl-2-phenyl-2-pyrazol-1-ylacetamide?
The IUPAC name of (2S)-N-[(3-hydroxyphenyl)methyl]-N-methyl-2-phenyl-2-pyrazol-1-ylacetamide (CID 94817737) is (2S)-N-[(3-hydroxyphenyl)methyl]-N-methyl-2-phenyl-2-pyrazol-1-ylacetamide.
What is the SMILES notation for (2S)-N-[(3-hydroxyphenyl)methyl]-N-methyl-2-phenyl-2-pyrazol-1-ylacetamide?
The canonical SMILES for (2S)-N-[(3-hydroxyphenyl)methyl]-N-methyl-2-phenyl-2-pyrazol-1-ylacetamide is CN(Cc1cccc(O)c1)C(=O)[C@H](c1ccccc1)n1cccn1.
What is the InChIKey of (2S)-N-[(3-hydroxyphenyl)methyl]-N-methyl-2-phenyl-2-pyrazol-1-ylacetamide?
The InChIKey is RGLHPPXFLDTRFI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-21(14-15-7-5-10-17(23)13-15)19(24)18(22-12-6-11-20-22)16-8-3-2-4-9-16/h2-13,18,23H,14H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-N-[(3-hydroxyphenyl)methyl]-N-methyl-2-phenyl-2-pyrazol-1-ylacetamide?
(2S)-N-[(3-hydroxyphenyl)methyl]-N-methyl-2-phenyl-2-pyrazol-1-ylacetamide has a molecular weight of 321.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-hydroxyphenyl)methyl]-N-methyl-2-phenyl-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 94817737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).