(2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide

C21H23N3O2 — CID 51966415

IUPAC(2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide
SMILESCO[C@H](C)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-16(26-2)21(25)22-13-19-15-24(14-17-9-5-3-6-10-17)23-20(19)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,22,25)/t16-/m1/s1
InChIKeyFVFPZBPMUAZDMX-MRXNPFEDSA-N
MW349.43 g/mol
LogP3.25
Rot. Bonds7

About (2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide

(2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide (PubChem CID 51966415) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide
PubChem CID51966415
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide
SMILESCO[C@H](C)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-16(26-2)21(25)22-13-19-15-24(14-17-9-5-3-6-10-17)23-20(19)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,22,25)/t16-/m1/s1
InChIKeyFVFPZBPMUAZDMX-MRXNPFEDSA-N
XLogP3.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 24610533
(2S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 24617685
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 26117299
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide
CID 26117322
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 24617701
3-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(4-methylphenyl)propanamide
CID 24610653
(3R)-3-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(4-methylphenyl)propanamide
CID 25470117
N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]ethyl]-2,2-dimethylpropanamide
CID 119123380
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24610550
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide
CID 46553209
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 25488874

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide?
The IUPAC name of (2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide (CID 51966415) is (2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide.
What is the SMILES notation for (2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide?
The canonical SMILES for (2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide is CO[C@H](C)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide?
The InChIKey is FVFPZBPMUAZDMX-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16(26-2)21(25)22-13-19-15-24(14-17-9-5-3-6-10-17)23-20(19)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,22,25)/t16-/m1/s1.
What are the key properties of (2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide?
(2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide has a molecular weight of 349.43 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide is sourced from PubChem (CID 51966415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).