2-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methylbutanamide

C24H28N4O2 — CID 24610533

IUPAC2-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C(C)C
InChIInChI=1S/C24H28N4O2/c1-17(2)22(26-18(3)29)24(30)25-14-21-16-28(15-19-10-6-4-7-11-19)27-23(21)20-12-8-5-9-13-20/h4-13,16-17,22H,14-15H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyKRRHLEMKQPLVFU-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.38
Rot. Bonds8

About 2-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methylbutanamide

2-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methylbutanamide (PubChem CID 24610533) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methylbutanamide
PubChem CID24610533
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C(C)C
InChIInChI=1S/C24H28N4O2/c1-17(2)22(26-18(3)29)24(30)25-14-21-16-28(15-19-10-6-4-7-11-19)27-23(21)20-12-8-5-9-13-20/h4-13,16-17,22H,14-15H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyKRRHLEMKQPLVFU-UHFFFAOYSA-N
XLogP3.38
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide
CID 51966415
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
(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
4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 24616530
2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 17395399
N-[(2S)-1-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 31340703
(2R)-2-acetamido-3-methyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 138009138

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methylbutanamide (CID 24610533) is 2-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methylbutanamide is CC(=O)NC(C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C(C)C.
What is the InChIKey of 2-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methylbutanamide?
The InChIKey is KRRHLEMKQPLVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17(2)22(26-18(3)29)24(30)25-14-21-16-28(15-19-10-6-4-7-11-19)27-23(21)20-12-8-5-9-13-20/h4-13,16-17,22H,14-15H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of 2-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methylbutanamide?
2-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methylbutanamide has a molecular weight of 404.51 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methylbutanamide is sourced from PubChem (CID 24610533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).