N-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-4-(4-propoxyphenyl)butanamide

C20H27N3O3 — CID 55977589

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1
InChIInChI=1S/C20H27N3O3/c1-5-12-26-15-8-6-14(7-9-15)16(24)10-11-19(25)21-18-13-17(22-23-18)20(2,3)4/h6-9,13H,5,10-12H2,1-4H3,(H2,21,22,23,25)
InChIKeyDCHBWRJTMCPMDK-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.10
Rot. Bonds8

About N-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-4-(4-propoxyphenyl)butanamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-4-(4-propoxyphenyl)butanamide (PubChem CID 55977589) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-4-(4-propoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
PubChem CID55977589
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1
InChIInChI=1S/C20H27N3O3/c1-5-12-26-15-8-6-14(7-9-15)16(24)10-11-19(25)21-18-13-17(22-23-18)20(2,3)4/h6-9,13H,5,10-12H2,1-4H3,(H2,21,22,23,25)
InChIKeyDCHBWRJTMCPMDK-UHFFFAOYSA-N
XLogP4.10
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide
CID 113433784
N-(5-tert-butyl-1H-pyrazol-3-yl)hexanamide
CID 47343717
2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104616360
ethyl 4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-4-oxobutanoate
CID 113226291
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55727969
N-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9413945
N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 78773838
N-(1,3-benzodioxol-5-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9313911
N-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55551846
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-oxo-4-(4-propoxyphenyl)butanoate
CID 7189810
N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 36522730

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-4-(4-propoxyphenyl)butanamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-4-(4-propoxyphenyl)butanamide (CID 55977589) is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-4-(4-propoxyphenyl)butanamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-4-(4-propoxyphenyl)butanamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-4-(4-propoxyphenyl)butanamide is CCCOc1ccc(C(=O)CCC(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-4-(4-propoxyphenyl)butanamide?
The InChIKey is DCHBWRJTMCPMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-5-12-26-15-8-6-14(7-9-15)16(24)10-11-19(25)21-18-13-17(22-23-18)20(2,3)4/h6-9,13H,5,10-12H2,1-4H3,(H2,21,22,23,25).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-4-(4-propoxyphenyl)butanamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-4-(4-propoxyphenyl)butanamide has a molecular weight of 357.45 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-4-(4-propoxyphenyl)butanamide is sourced from PubChem (CID 55977589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).