N-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

C20H20ClN3O2 — CID 25481606

IUPACN-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
SMILESCc1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c(Cl)c1
InChIInChI=1S/C20H20ClN3O2/c1-14-7-8-18(16(21)13-14)22-19(25)9-10-20(26)24-12-11-17(23-24)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,22,25)
InChIKeyCQLYRDQTDUBPLI-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.00
Rot. Bonds5

About N-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

N-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide (PubChem CID 25481606) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
PubChem CID25481606
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
SMILESCc1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c(Cl)c1
InChIInChI=1S/C20H20ClN3O2/c1-14-7-8-18(16(21)13-14)22-19(25)9-10-20(26)24-12-11-17(23-24)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,22,25)
InChIKeyCQLYRDQTDUBPLI-UHFFFAOYSA-N
XLogP4.00
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide (CID 25481606) is N-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide is Cc1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The InChIKey is CQLYRDQTDUBPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-14-7-8-18(16(21)13-14)22-19(25)9-10-20(26)24-12-11-17(23-24)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,22,25).
What are the key properties of N-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
N-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide has a molecular weight of 369.85 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide is sourced from PubChem (CID 25481606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).