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

C25H19N5OS — CID 55984553

IUPAC2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csnn2)cc1)c1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C25H19N5OS/c31-25(27-21-12-10-20(11-13-21)24-17-32-29-28-24)23-5-2-1-4-22(23)19-8-6-18(7-9-19)16-30-15-3-14-26-30/h1-15,17H,16H2,(H,27,31)
InChIKeyGFLGHTIJMUSLJZ-UHFFFAOYSA-N
MW437.53 g/mol
LogP5.37
Rot. Bonds6

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

2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide (PubChem CID 55984553) has the molecular formula C25H19N5OS and a molecular weight of 437.53 g/mol. Its IUPAC name is 2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide
PubChem CID55984553
Molecular FormulaC25H19N5OS
Molecular Weight437.53 g/mol
Exact Mass437.13
IUPAC Name2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csnn2)cc1)c1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C25H19N5OS/c31-25(27-21-12-10-20(11-13-21)24-17-32-29-28-24)23-5-2-1-4-22(23)19-8-6-18(7-9-19)16-30-15-3-14-26-30/h1-15,17H,16H2,(H,27,31)
InChIKeyGFLGHTIJMUSLJZ-UHFFFAOYSA-N
XLogP5.37
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.53
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630760
N-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630593
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide
CID 55985027
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55635479
N-(4-fluoro-3-nitrophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630815
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-bromo-2-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630570
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630817
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 2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide?
The IUPAC name of 2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide (CID 55984553) is 2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide is O=C(Nc1ccc(-c2csnn2)cc1)c1ccccc1-c1ccc(Cn2cccn2)cc1.
What is the InChIKey of 2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide?
The InChIKey is GFLGHTIJMUSLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5OS/c31-25(27-21-12-10-20(11-13-21)24-17-32-29-28-24)23-5-2-1-4-22(23)19-8-6-18(7-9-19)16-30-15-3-14-26-30/h1-15,17H,16H2,(H,27,31).
What are the key properties of 2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide?
2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide has a molecular weight of 437.53 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 55984553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).