4-butoxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzamide

C23H27N3O4 — CID 34237678

IUPAC4-butoxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC
InChIInChI=1S/C23H27N3O4/c1-5-6-14-30-19-13-12-17(15-20(19)29-4)22(27)24-21-16(2)25(3)26(23(21)28)18-10-8-7-9-11-18/h7-13,15H,5-6,14H2,1-4H3,(H,24,27)
InChIKeyPZGNBHJBRGBKDB-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.92
Rot. Bonds8

About 4-butoxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzamide

4-butoxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzamide (PubChem CID 34237678) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-butoxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-butoxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzamide
PubChem CID34237678
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name4-butoxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC
InChIInChI=1S/C23H27N3O4/c1-5-6-14-30-19-13-12-17(15-20(19)29-4)22(27)24-21-16(2)25(3)26(23(21)28)18-10-8-7-9-11-18/h7-13,15H,5-6,14H2,1-4H3,(H,24,27)
InChIKeyPZGNBHJBRGBKDB-UHFFFAOYSA-N
XLogP3.92
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.92
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

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-ethoxy-3-methoxybenzamide
CID 26499954
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethoxy-4-propoxybenzamide
CID 26909003
3-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethoxy-4-methoxybenzamide
CID 17458410
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxybenzamide
CID 1043889
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 789711
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethylsulfanylpyridine-4-carboxamide
CID 55997551
4-(2,4-dichlorophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide
CID 2257918
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-propanoylphenoxy)acetamide
CID 2709616
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N'-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]oxamide
CID 3671481

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzamide?
The IUPAC name of 4-butoxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzamide (CID 34237678) is 4-butoxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzamide.
What is the SMILES notation for 4-butoxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzamide?
The canonical SMILES for 4-butoxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzamide is CCCCOc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC.
What is the InChIKey of 4-butoxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzamide?
The InChIKey is PZGNBHJBRGBKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-5-6-14-30-19-13-12-17(15-20(19)29-4)22(27)24-21-16(2)25(3)26(23(21)28)18-10-8-7-9-11-18/h7-13,15H,5-6,14H2,1-4H3,(H,24,27).
What are the key properties of 4-butoxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzamide?
4-butoxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzamide has a molecular weight of 409.49 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzamide is sourced from PubChem (CID 34237678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).