4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide

C21H20N4O3 — CID 60590949

IUPAC4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H20N4O3/c1-27-20-12-16(13-22)9-10-19(20)28-11-5-8-21(26)24-17-14-23-25(15-17)18-6-3-2-4-7-18/h2-4,6-7,9-10,12,14-15H,5,8,11H2,1H3,(H,24,26)
InChIKeyBXRUBVJSBZGJFZ-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.55
Rot. Bonds8

About 4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide

4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide (PubChem CID 60590949) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide.

Molecular Properties

Compound Name4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide
PubChem CID60590949
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H20N4O3/c1-27-20-12-16(13-22)9-10-19(20)28-11-5-8-21(26)24-17-14-23-25(15-17)18-6-3-2-4-7-18/h2-4,6-7,9-10,12,14-15H,5,8,11H2,1H3,(H,24,26)
InChIKeyBXRUBVJSBZGJFZ-UHFFFAOYSA-N
XLogP3.55
TPSA89.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.55
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-(6-methoxy-3-pyridinyl)butanamide
CID 46484895
4-(4-cyano-2-methoxyphenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
CID 55718903
4-(4-cyano-2-methoxyphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 55719091
4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide
CID 55742192
4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]butanamide
CID 55758533
4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 78789106
4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 55712515
4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide
CID 47835221
4-(4-cyano-2-methoxyphenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
CID 55795593
1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 47081496
4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide
CID 48585204
4-(4-cyano-2-methoxyphenoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]butanamide
CID 55765783

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide?
The IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide (CID 60590949) is 4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide.
What is the SMILES notation for 4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide?
The canonical SMILES for 4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide is COc1cc(C#N)ccc1OCCCC(=O)Nc1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide?
The InChIKey is BXRUBVJSBZGJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-27-20-12-16(13-22)9-10-19(20)28-11-5-8-21(26)24-17-14-23-25(15-17)18-6-3-2-4-7-18/h2-4,6-7,9-10,12,14-15H,5,8,11H2,1H3,(H,24,26).
What are the key properties of 4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide?
4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide has a molecular weight of 376.42 g/mol, XLogP of 3.55, 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-(1-phenylpyrazol-4-yl)butanamide is sourced from PubChem (CID 60590949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).