N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

C26H31N3O3 — CID 60569276

IUPACN-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
SMILESCOc1ccccc1C1(CNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)CCCC1
InChIInChI=1S/C26H31N3O3/c1-32-23-12-6-5-11-21(23)26(16-7-8-17-26)19-27-24(30)13-14-25(31)29-18-15-22(28-29)20-9-3-2-4-10-20/h2-6,9-12H,7-8,13-19H2,1H3,(H,27,30)
InChIKeyJAZPTSYBBVLFDP-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.04
Rot. Bonds8

About N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide (PubChem CID 60569276) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
PubChem CID60569276
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC NameN-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
SMILESCOc1ccccc1C1(CNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)CCCC1
InChIInChI=1S/C26H31N3O3/c1-32-23-12-6-5-11-21(23)26(16-7-8-17-26)19-27-24(30)13-14-25(31)29-18-15-22(28-29)20-9-3-2-4-10-20/h2-6,9-12H,7-8,13-19H2,1H3,(H,27,30)
InChIKeyJAZPTSYBBVLFDP-UHFFFAOYSA-N
XLogP4.04
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The IUPAC name of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide (CID 60569276) is N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The canonical SMILES for N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide is COc1ccccc1C1(CNC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)CCCC1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The InChIKey is JAZPTSYBBVLFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-32-23-12-6-5-11-21(23)26(16-7-8-17-26)19-27-24(30)13-14-25(31)29-18-15-22(28-29)20-9-3-2-4-10-20/h2-6,9-12H,7-8,13-19H2,1H3,(H,27,30).
What are the key properties of N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide has a molecular weight of 433.55 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide is sourced from PubChem (CID 60569276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).