N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxy-3-methylphenyl)propanamide

C22H25N3O3 — CID 100644721

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxy-3-methylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C
InChIInChI=1S/C22H25N3O3/c1-15-14-17(10-12-19(15)28-4)11-13-20(26)23-21-16(2)24(3)25(22(21)27)18-8-6-5-7-9-18/h5-10,12,14H,11,13H2,1-4H3,(H,23,26)
InChIKeyREPJAIMLJWRFFQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.37
Rot. Bonds6

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxy-3-methylphenyl)propanamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxy-3-methylphenyl)propanamide (PubChem CID 100644721) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxy-3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxy-3-methylphenyl)propanamide
PubChem CID100644721
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxy-3-methylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C
InChIInChI=1S/C22H25N3O3/c1-15-14-17(10-12-19(15)28-4)11-13-20(26)23-21-16(2)24(3)25(22(21)27)18-8-6-5-7-9-18/h5-10,12,14H,11,13H2,1-4H3,(H,23,26)
InChIKeyREPJAIMLJWRFFQ-UHFFFAOYSA-N
XLogP3.37
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxy-3-methylphenyl)propanamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxy-3-methylphenyl)propanamide (CID 100644721) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxy-3-methylphenyl)propanamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxy-3-methylphenyl)propanamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxy-3-methylphenyl)propanamide is COc1ccc(CCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxy-3-methylphenyl)propanamide?
The InChIKey is REPJAIMLJWRFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15-14-17(10-12-19(15)28-4)11-13-20(26)23-21-16(2)24(3)25(22(21)27)18-8-6-5-7-9-18/h5-10,12,14H,11,13H2,1-4H3,(H,23,26).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxy-3-methylphenyl)propanamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxy-3-methylphenyl)propanamide has a molecular weight of 379.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxy-3-methylphenyl)propanamide is sourced from PubChem (CID 100644721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).