N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide

C25H28N4O2 — CID 30767142

IUPACN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H28N4O2/c30-23(19-28-15-9-3-8-14-24(28)31)26-16-22-18-29(17-20-10-4-1-5-11-20)27-25(22)21-12-6-2-7-13-21/h1-2,4-7,10-13,18H,3,8-9,14-17,19H2,(H,26,30)
InChIKeyDPGYXDJMJVLROP-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.62
Rot. Bonds7

About N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 30767142) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID30767142
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H28N4O2/c30-23(19-28-15-9-3-8-14-24(28)31)26-16-22-18-29(17-20-10-4-1-5-11-20)27-25(22)21-12-6-2-7-13-21/h1-2,4-7,10-13,18H,3,8-9,14-17,19H2,(H,26,30)
InChIKeyDPGYXDJMJVLROP-UHFFFAOYSA-N
XLogP3.62
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 26117218
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 24617701
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119698865
4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
CID 119165488
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 26117299
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-N'-(2-cyanoethyl)-N'-phenylbutanediamide
CID 56515589
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 119276225
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 119276229
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24610550
(2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide
CID 51966415
2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 78863989

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide (CID 30767142) is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide is O=C(CN1CCCCCC1=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is DPGYXDJMJVLROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c30-23(19-28-15-9-3-8-14-24(28)31)26-16-22-18-29(17-20-10-4-1-5-11-20)27-25(22)21-12-6-2-7-13-21/h1-2,4-7,10-13,18H,3,8-9,14-17,19H2,(H,26,30).
What are the key properties of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 416.53 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 30767142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).