3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide

C21H25N5O3 — CID 135885940

IUPAC3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCc1c(C)nn(-c2nc(C)cc(=O)[nH]2)c1C
InChIInChI=1S/C21H25N5O3/c1-12-6-8-18(29-5)17(10-12)23-19(27)9-7-16-14(3)25-26(15(16)4)21-22-13(2)11-20(28)24-21/h6,8,10-11H,7,9H2,1-5H3,(H,23,27)(H,22,24,28)
InChIKeyRRAXAPOHDRNGFF-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.77
Rot. Bonds6

About 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide

3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 135885940) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide
PubChem CID135885940
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCc1c(C)nn(-c2nc(C)cc(=O)[nH]2)c1C
InChIInChI=1S/C21H25N5O3/c1-12-6-8-18(29-5)17(10-12)23-19(27)9-7-16-14(3)25-26(15(16)4)21-22-13(2)11-20(28)24-21/h6,8,10-11H,7,9H2,1-5H3,(H,23,27)(H,22,24,28)
InChIKeyRRAXAPOHDRNGFF-UHFFFAOYSA-N
XLogP2.77
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanoylamino]benzamide
CID 135885950
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 135885892
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 135885896
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
CID 135885938
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 110685626
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 8573157
N-(2-methoxy-5-methylphenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135927493
2-[4-[4-(2-fluorophenyl)-3-oxobutyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 161279997
6-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736269
N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17483732
3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 27009953
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide (CID 135885940) is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide is COc1ccc(C)cc1NC(=O)CCc1c(C)nn(-c2nc(C)cc(=O)[nH]2)c1C.
What is the InChIKey of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
The InChIKey is RRAXAPOHDRNGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-12-6-8-18(29-5)17(10-12)23-19(27)9-7-16-14(3)25-26(15(16)4)21-22-13(2)11-20(28)24-21/h6,8,10-11H,7,9H2,1-5H3,(H,23,27)(H,22,24,28).
What are the key properties of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 395.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 135885940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).