N-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

C28H28N4O2 — CID 24630760

IUPACN-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1
InChIInChI=1S/C28H28N4O2/c1-3-31(4-2)28(34)23-14-16-24(17-15-23)30-27(33)26-9-6-5-8-25(26)22-12-10-21(11-13-22)20-32-19-7-18-29-32/h5-19H,3-4,20H2,1-2H3,(H,30,33)
InChIKeyDRRJNHSXLGYOCN-UHFFFAOYSA-N
MW452.56 g/mol
LogP5.33
Rot. Bonds8

About N-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

N-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 24630760) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID24630760
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC NameN-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1
InChIInChI=1S/C28H28N4O2/c1-3-31(4-2)28(34)23-14-16-24(17-15-23)30-27(33)26-9-6-5-8-25(26)22-12-10-21(11-13-22)20-32-19-7-18-29-32/h5-19H,3-4,20H2,1-2H3,(H,30,33)
InChIKeyDRRJNHSXLGYOCN-UHFFFAOYSA-N
XLogP5.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylsulfanylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46633143
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24684483
N-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630593
2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide
CID 55984553
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55635479
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39948127
N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630691
N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24681023
N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 134036419
N-ethyl-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
CID 166191819
N-(4-fluoro-3-nitrophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630815
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55797224

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of N-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 24630760) is N-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for N-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1.
What is the InChIKey of N-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is DRRJNHSXLGYOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-3-31(4-2)28(34)23-14-16-24(17-15-23)30-27(33)26-9-6-5-8-25(26)22-12-10-21(11-13-22)20-32-19-7-18-29-32/h5-19H,3-4,20H2,1-2H3,(H,30,33).
What are the key properties of N-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
N-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 452.56 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 24630760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).