4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide

C24H26N4O3 — CID 55758533

IUPAC4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)Nc1cc(C)nn1-c1cc(C)cc(C)c1
InChIInChI=1S/C24H26N4O3/c1-16-10-17(2)12-20(11-16)28-23(13-18(3)27-28)26-24(29)6-5-9-31-21-8-7-19(15-25)14-22(21)30-4/h7-8,10-14H,5-6,9H2,1-4H3,(H,26,29)
InChIKeyQFUGCGXPDJEBNB-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.48
Rot. Bonds8

About 4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide

4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide (PubChem CID 55758533) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide
PubChem CID55758533
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)Nc1cc(C)nn1-c1cc(C)cc(C)c1
InChIInChI=1S/C24H26N4O3/c1-16-10-17(2)12-20(11-16)28-23(13-18(3)27-28)26-24(29)6-5-9-31-21-8-7-19(15-25)14-22(21)30-4/h7-8,10-14H,5-6,9H2,1-4H3,(H,26,29)
InChIKeyQFUGCGXPDJEBNB-UHFFFAOYSA-N
XLogP4.48
TPSA89.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 78789106
4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide
CID 60590949
4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
CID 46484895
4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide
CID 47835221
4-(4-cyano-2-methoxyphenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
CID 55718903
4-(4-cyano-2-methoxyphenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
CID 55795593
4-(4-cyano-2-methoxyphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 55719091
3-[4-(4-cyano-2-methoxyphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide
CID 55784723
4-(4-cyano-2-methoxyphenoxy)-N'-[2-(2,4-dimethylanilino)acetyl]butanehydrazide
CID 56502865
4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide
CID 55742192
4-(4-cyano-2-methoxyphenoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]butanamide
CID 55765783
4-(4-cyano-2-methoxyphenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 46469598

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide?
The IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide (CID 55758533) is 4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide.
What is the SMILES notation for 4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide?
The canonical SMILES for 4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide is COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(C)nn1-c1cc(C)cc(C)c1.
What is the InChIKey of 4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide?
The InChIKey is QFUGCGXPDJEBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16-10-17(2)12-20(11-16)28-23(13-18(3)27-28)26-24(29)6-5-9-31-21-8-7-19(15-25)14-22(21)30-4/h7-8,10-14H,5-6,9H2,1-4H3,(H,26,29).
What are the key properties of 4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide?
4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide has a molecular weight of 418.50 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide is sourced from PubChem (CID 55758533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).