3-(4-methoxyphenyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]propanamide

C21H22N4O3 — CID 51133173

IUPAC3-(4-methoxyphenyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C21H22N4O3/c1-28-19-10-3-16(4-11-19)5-12-20(26)22-15-21(27)24-17-6-8-18(9-7-17)25-14-2-13-23-25/h2-4,6-11,13-14H,5,12,15H2,1H3,(H,22,26)(H,24,27)
InChIKeyLXJNAZZBHRLYAB-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.57
Rot. Bonds8

About 3-(4-methoxyphenyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]propanamide

3-(4-methoxyphenyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]propanamide (PubChem CID 51133173) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]propanamide
PubChem CID51133173
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-(4-methoxyphenyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C21H22N4O3/c1-28-19-10-3-16(4-11-19)5-12-20(26)22-15-21(27)24-17-6-8-18(9-7-17)25-14-2-13-23-25/h2-4,6-11,13-14H,5,12,15H2,1H3,(H,22,26)(H,24,27)
InChIKeyLXJNAZZBHRLYAB-UHFFFAOYSA-N
XLogP2.57
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide
CID 120562018
2-(3-methoxyphenyl)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 31907046
4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
CID 120562017
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224448
N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
CID 110745069
4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120630144
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 25492281
2-(4-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide
CID 35590496
2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
CID 119768018
N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962
4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
CID 55980228

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]propanamide (CID 51133173) is 3-(4-methoxyphenyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]propanamide is COc1ccc(CCC(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]propanamide?
The InChIKey is LXJNAZZBHRLYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-28-19-10-3-16(4-11-19)5-12-20(26)22-15-21(27)24-17-6-8-18(9-7-17)25-14-2-13-23-25/h2-4,6-11,13-14H,5,12,15H2,1H3,(H,22,26)(H,24,27).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]propanamide?
3-(4-methoxyphenyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]propanamide has a molecular weight of 378.43 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]propanamide is sourced from PubChem (CID 51133173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).