5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide

C21H21N3O3 — CID 55963096

IUPAC5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)Nc2cccc(-n3cccn3)c2)cc1
InChIInChI=1S/C21H21N3O3/c1-27-19-11-9-16(10-12-19)20(25)7-3-8-21(26)23-17-5-2-6-18(15-17)24-14-4-13-22-24/h2,4-6,9-15H,3,7-8H2,1H3,(H,23,26)
InChIKeyGQNQSPOWEOTAFD-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.87
Rot. Bonds8

About 5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide

5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide (PubChem CID 55963096) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide
PubChem CID55963096
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)Nc2cccc(-n3cccn3)c2)cc1
InChIInChI=1S/C21H21N3O3/c1-27-19-11-9-16(10-12-19)20(25)7-3-8-21(26)23-17-5-2-6-18(15-17)24-14-4-13-22-24/h2,4-6,9-15H,3,7-8H2,1H3,(H,23,26)
InChIKeyGQNQSPOWEOTAFD-UHFFFAOYSA-N
XLogP3.87
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
CID 60940474
2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid
CID 119351782
N-(4-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698189
N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 52710157
N-(3-pyrazol-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55700607
N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698188
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide
CID 62832323
methyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate
CID 110306530
5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 55905335
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 3604523
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide?
The IUPAC name of 5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide (CID 55963096) is 5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide?
The canonical SMILES for 5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide is COc1ccc(C(=O)CCCC(=O)Nc2cccc(-n3cccn3)c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide?
The InChIKey is GQNQSPOWEOTAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-27-19-11-9-16(10-12-19)20(25)7-3-8-21(26)23-17-5-2-6-18(15-17)24-14-4-13-22-24/h2,4-6,9-15H,3,7-8H2,1H3,(H,23,26).
What are the key properties of 5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide?
5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide has a molecular weight of 363.42 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide is sourced from PubChem (CID 55963096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).