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

C20H19N5O — CID 71987033

IUPAC2-(4-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(C(N)=O)c1ccc(C#N)cc1
InChIInChI=1S/C20H19N5O/c1-24(19(20(22)26)17-9-7-15(11-21)8-10-17)13-16-12-23-25(14-16)18-5-3-2-4-6-18/h2-10,12,14,19H,13H2,1H3,(H2,22,26)
InChIKeyTXKLXWDEPLFRDT-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.40
Rot. Bonds6

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

2-(4-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide (PubChem CID 71987033) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
PubChem CID71987033
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-(4-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(C(N)=O)c1ccc(C#N)cc1
InChIInChI=1S/C20H19N5O/c1-24(19(20(22)26)17-9-7-15(11-21)8-10-17)13-16-12-23-25(14-16)18-5-3-2-4-6-18/h2-10,12,14,19H,13H2,1H3,(H2,22,26)
InChIKeyTXKLXWDEPLFRDT-UHFFFAOYSA-N
XLogP2.40
TPSA87.94 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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?
The IUPAC name of 2-(4-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide (CID 71987033) is 2-(4-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide is CN(Cc1cnn(-c2ccccc2)c1)C(C(N)=O)c1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?
The InChIKey is TXKLXWDEPLFRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-24(19(20(22)26)17-9-7-15(11-21)8-10-17)13-16-12-23-25(14-16)18-5-3-2-4-6-18/h2-10,12,14,19H,13H2,1H3,(H2,22,26).
What are the key properties of 2-(4-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?
2-(4-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide has a molecular weight of 345.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 71987033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).