N-(1-methylpyrazol-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide

C19H25N3O3 — CID 32603422

IUPACN-(1-methylpyrazol-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
SMILESCCCCCOc1ccc(C(=O)CCC(=O)Nc2cnn(C)c2)cc1
InChIInChI=1S/C19H25N3O3/c1-3-4-5-12-25-17-8-6-15(7-9-17)18(23)10-11-19(24)21-16-13-20-22(2)14-16/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,21,24)
InChIKeyGACSXFHGCQLWMD-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.59
Rot. Bonds10

About N-(1-methylpyrazol-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide

N-(1-methylpyrazol-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide (PubChem CID 32603422) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
PubChem CID32603422
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(1-methylpyrazol-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
SMILESCCCCCOc1ccc(C(=O)CCC(=O)Nc2cnn(C)c2)cc1
InChIInChI=1S/C19H25N3O3/c1-3-4-5-12-25-17-8-6-15(7-9-17)18(23)10-11-19(24)21-16-13-20-22(2)14-16/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,21,24)
InChIKeyGACSXFHGCQLWMD-UHFFFAOYSA-N
XLogP3.59
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide
CID 2121886
N-(1-methylpyrazol-4-yl)-4-(4-methylsulfonylphenoxy)butanamide
CID 51096516
N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 36522730
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9113502
4-oxo-4-(4-pentoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 30587851
N-(4-decoxyphenyl)butanamide
CID 143303175
N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 18269206
1-(4-methylpiperazin-1-yl)-4-(4-pentoxyphenyl)butane-1,4-dione
CID 112759546
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55727969
N-(1,3-benzodioxol-5-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9313911
4-methyl-3-[[4-oxo-4-(4-pentoxyphenyl)butanoyl]amino]benzamide
CID 60602890

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide (CID 32603422) is N-(1-methylpyrazol-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide is CCCCCOc1ccc(C(=O)CCC(=O)Nc2cnn(C)c2)cc1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide?
The InChIKey is GACSXFHGCQLWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-4-5-12-25-17-8-6-15(7-9-17)18(23)10-11-19(24)21-16-13-20-22(2)14-16/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,21,24).
What are the key properties of N-(1-methylpyrazol-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide?
N-(1-methylpyrazol-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide has a molecular weight of 343.43 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide is sourced from PubChem (CID 32603422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).