N-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide

C25H20N4O — CID 86991680

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)NCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C25H20N4O/c26-14-21-10-4-5-11-22(21)23-12-6-7-13-24(23)25(30)27-15-20-16-28-29(18-20)17-19-8-2-1-3-9-19/h1-13,16,18H,15,17H2,(H,27,30)
InChIKeyGDQLUPQTCSYYDP-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.40
Rot. Bonds6

About N-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide

N-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide (PubChem CID 86991680) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide
PubChem CID86991680
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)NCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C25H20N4O/c26-14-21-10-4-5-11-22(21)23-12-6-7-13-24(23)25(30)27-15-20-16-28-29(18-20)17-19-8-2-1-3-9-19/h1-13,16,18H,15,17H2,(H,27,30)
InChIKeyGDQLUPQTCSYYDP-UHFFFAOYSA-N
XLogP4.40
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26953457
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide
CID 27843819
N-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 86990835
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide
CID 17393796
2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide
CID 26819843
N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
CID 86991697
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 86990135
2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55783471
N-(1-benzylpyrazol-4-yl)-2-(2-cyanophenyl)sulfanylbenzamide
CID 60557155
N-[(1-benzylpyrazol-4-yl)methyl]-2-oxochromene-3-carboxamide
CID 51115685
N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56895276
1-[(1-benzylpyrazol-4-yl)methyl]-3-[1-(4-cyanophenyl)ethyl]urea
CID 86996888

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide (CID 86991680) is N-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide is N#Cc1ccccc1-c1ccccc1C(=O)NCc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide?
The InChIKey is GDQLUPQTCSYYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c26-14-21-10-4-5-11-22(21)23-12-6-7-13-24(23)25(30)27-15-20-16-28-29(18-20)17-19-8-2-1-3-9-19/h1-13,16,18H,15,17H2,(H,27,30).
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide?
N-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide has a molecular weight of 392.46 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide is sourced from PubChem (CID 86991680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).