3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide

C21H22FN3O3 — CID 27009953

IUPAC3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCc1c(C)[nH]n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C21H22FN3O3/c1-13-4-10-19(28-3)18(12-13)23-20(26)11-9-17-14(2)24-25(21(17)27)16-7-5-15(22)6-8-16/h4-8,10,12,24H,9,11H2,1-3H3,(H,23,26)
InChIKeyCWRRQPLCUPNRHZ-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.50
Rot. Bonds6

About 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide

3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 27009953) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide
PubChem CID27009953
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCc1c(C)[nH]n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C21H22FN3O3/c1-13-4-10-19(28-3)18(12-13)23-20(26)11-9-17-14(2)24-25(21(17)27)16-7-5-15(22)6-8-16/h4-8,10,12,24H,9,11H2,1-3H3,(H,23,26)
InChIKeyCWRRQPLCUPNRHZ-UHFFFAOYSA-N
XLogP3.50
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109027353
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 110685626
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
2-[[3-(4-fluorophenyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 50927366
3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-[1-(2-hydroxyethyl)cyclopropyl]propanamide
CID 167907121
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 8573157
N-(2-methoxy-5-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide
CID 110679084
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955812
2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113152094
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 46922635

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide (CID 27009953) is 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide is COc1ccc(C)cc1NC(=O)CCc1c(C)[nH]n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
The InChIKey is CWRRQPLCUPNRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-13-4-10-19(28-3)18(12-13)23-20(26)11-9-17-14(2)24-25(21(17)27)16-7-5-15(22)6-8-16/h4-8,10,12,24H,9,11H2,1-3H3,(H,23,26).
What are the key properties of 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 383.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 27009953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).