2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

C26H26N4O — CID 24648715

IUPAC2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N4O/c1-29(19-21-17-28-30(20-21)24-15-9-4-10-16-24)25(31)18-27-26(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-17,20,26-27H,18-19H2,1H3
InChIKeyLILXBZWXQMLVBH-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.21
Rot. Bonds8

About 2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 24648715) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID24648715
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N4O/c1-29(19-21-17-28-30(20-21)24-15-9-4-10-16-24)25(31)18-27-26(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-17,20,26-27H,18-19H2,1H3
InChIKeyLILXBZWXQMLVBH-UHFFFAOYSA-N
XLogP4.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
3,4-dichloro-N-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide
CID 8950479
2-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]sulfanylbenzoic acid
CID 17494555
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
N-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide
CID 38744068
N,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride
CID 119694776
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240
3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47026270
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961867
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17471481
2-[ethyl-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 17419291

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 24648715) is 2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)CNC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is LILXBZWXQMLVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-29(19-21-17-28-30(20-21)24-15-9-4-10-16-24)25(31)18-27-26(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-17,20,26-27H,18-19H2,1H3.
What are the key properties of 2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 410.52 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 24648715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).