N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethoxy-4-propoxybenzamide

C23H27N3O4 — CID 26909003

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OCC
InChIInChI=1S/C23H27N3O4/c1-5-14-30-19-13-12-17(15-20(19)29-6-2)22(27)24-21-16(3)25(4)26(23(21)28)18-10-8-7-9-11-18/h7-13,15H,5-6,14H2,1-4H3,(H,24,27)
InChIKeyBJTITAKEAANQTH-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.92
Rot. Bonds8

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethoxy-4-propoxybenzamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethoxy-4-propoxybenzamide (PubChem CID 26909003) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethoxy-4-propoxybenzamide
PubChem CID26909003
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OCC
InChIInChI=1S/C23H27N3O4/c1-5-14-30-19-13-12-17(15-20(19)29-6-2)22(27)24-21-16(3)25(4)26(23(21)28)18-10-8-7-9-11-18/h7-13,15H,5-6,14H2,1-4H3,(H,24,27)
InChIKeyBJTITAKEAANQTH-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

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-ethoxy-3-methoxybenzamide
CID 26499954
4-butoxy-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzamide
CID 34237678
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxybenzamide
CID 1043889
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
methyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]benzoate
CID 26908983
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
3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide
CID 26218687
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxy-2H-chromene-3-carboxamide
CID 55712399
4-(2,4-dichlorophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide
CID 2257918
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 2992617

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethoxy-4-propoxybenzamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethoxy-4-propoxybenzamide (CID 26909003) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethoxy-4-propoxybenzamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethoxy-4-propoxybenzamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethoxy-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OCC.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethoxy-4-propoxybenzamide?
The InChIKey is BJTITAKEAANQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-5-14-30-19-13-12-17(15-20(19)29-6-2)22(27)24-21-16(3)25(4)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 N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethoxy-4-propoxybenzamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethoxy-4-propoxybenzamide 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 N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 26909003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).