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

C20H19N5O — CID 17441369

IUPACN-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1C#N)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H19N5O/c1-24(15-20(26)23-19-10-6-5-7-17(19)11-21)13-16-12-22-25(14-16)18-8-3-2-4-9-18/h2-10,12,14H,13,15H2,1H3,(H,23,26)
InChIKeySCZXOBUELDBONI-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.81
Rot. Bonds6

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

N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide (PubChem CID 17441369) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
PubChem CID17441369
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccccc1C#N)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H19N5O/c1-24(15-20(26)23-19-10-6-5-7-17(19)11-21)13-16-12-22-25(14-16)18-8-3-2-4-9-18/h2-10,12,14H,13,15H2,1H3,(H,23,26)
InChIKeySCZXOBUELDBONI-UHFFFAOYSA-N
XLogP2.81
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17416541
N-(4-methylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17416540
2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide
CID 2657318
N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2657488
N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656670
N-methyl-2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]amino]-2-phenylacetamide
CID 87014725
4-[[[2-[(4-cyano-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 47075344
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 78825870
N-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965374
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
N-methyl-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 87014713
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide (CID 17441369) is N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide is CN(CC(=O)Nc1ccccc1C#N)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?
The InChIKey is SCZXOBUELDBONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-24(15-20(26)23-19-10-6-5-7-17(19)11-21)13-16-12-22-25(14-16)18-8-3-2-4-9-18/h2-10,12,14H,13,15H2,1H3,(H,23,26).
What are the key properties of N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?
N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide has a molecular weight of 345.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 17441369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).