4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide

C25H19Cl2N3O — CID 46704851

IUPAC4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide
SMILESO=C(NC1Cc2ccccc2C1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1
InChIInChI=1S/C25H19Cl2N3O/c26-19-9-10-21(22(27)13-19)24-14-23(29-30-24)15-5-7-16(8-6-15)25(31)28-20-11-17-3-1-2-4-18(17)12-20/h1-10,13-14,20H,11-12H2,(H,28,31)(H,29,30)
InChIKeyRSLZJPVWESEUFL-UHFFFAOYSA-N
MW448.35 g/mol
LogP5.95
Rot. Bonds4

About 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide

4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide (PubChem CID 46704851) has the molecular formula C25H19Cl2N3O and a molecular weight of 448.35 g/mol. Its IUPAC name is 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide.

Molecular Properties

Compound Name4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide
PubChem CID46704851
Molecular FormulaC25H19Cl2N3O
Molecular Weight448.35 g/mol
Exact Mass447.09
IUPAC Name4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide
SMILESO=C(NC1Cc2ccccc2C1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1
InChIInChI=1S/C25H19Cl2N3O/c26-19-9-10-21(22(27)13-19)24-14-23(29-30-24)15-5-7-16(8-6-15)25(31)28-20-11-17-3-1-2-4-18(17)12-20/h1-10,13-14,20H,11-12H2,(H,28,31)(H,29,30)
InChIKeyRSLZJPVWESEUFL-UHFFFAOYSA-N
XLogP5.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.35
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide?
The IUPAC name of 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide (CID 46704851) is 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide.
What is the SMILES notation for 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide?
The canonical SMILES for 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide is O=C(NC1Cc2ccccc2C1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1.
What is the InChIKey of 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide?
The InChIKey is RSLZJPVWESEUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N3O/c26-19-9-10-21(22(27)13-19)24-14-23(29-30-24)15-5-7-16(8-6-15)25(31)28-20-11-17-3-1-2-4-18(17)12-20/h1-10,13-14,20H,11-12H2,(H,28,31)(H,29,30).
What are the key properties of 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide?
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide has a molecular weight of 448.35 g/mol, XLogP of 5.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide is sourced from PubChem (CID 46704851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).