5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide

C25H28N4O4 — CID 154055006

IUPAC5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(O)c(-c3cc(C4CC4)n(C(=O)NC(C)C)n3)c2)cc1
InChIInChI=1S/C25H28N4O4/c1-4-33-19-10-7-17(8-11-19)24(31)27-18-9-12-23(30)20(13-18)21-14-22(16-5-6-16)29(28-21)25(32)26-15(2)3/h7-16,30H,4-6H2,1-3H3,(H,26,32)(H,27,31)
InChIKeyYALKXHDJVFAJJQ-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.75
Rot. Bonds7

About 5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide

5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide (PubChem CID 154055006) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
PubChem CID154055006
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(O)c(-c3cc(C4CC4)n(C(=O)NC(C)C)n3)c2)cc1
InChIInChI=1S/C25H28N4O4/c1-4-33-19-10-7-17(8-11-19)24(31)27-18-9-12-23(30)20(13-18)21-14-22(16-5-6-16)29(28-21)25(32)26-15(2)3/h7-16,30H,4-6H2,1-3H3,(H,26,32)(H,27,31)
InChIKeyYALKXHDJVFAJJQ-UHFFFAOYSA-N
XLogP4.75
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055004
N-butan-2-yl-5-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154054336
N,5-dicyclopropyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055966
N-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054992
5-cyclopentyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055940
5-cyclobutyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154055937
5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154055712
5-cyclobutyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154055947
5-cyclopentyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154055933
5-cyclobutyl-N-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154054324
N-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide
CID 154054461
N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054851

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide?
The IUPAC name of 5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide (CID 154055006) is 5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide.
What is the SMILES notation for 5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide?
The canonical SMILES for 5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide is CCOc1ccc(C(=O)Nc2ccc(O)c(-c3cc(C4CC4)n(C(=O)NC(C)C)n3)c2)cc1.
What is the InChIKey of 5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide?
The InChIKey is YALKXHDJVFAJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-4-33-19-10-7-17(8-11-19)24(31)27-18-9-12-23(30)20(13-18)21-14-22(16-5-6-16)29(28-21)25(32)26-15(2)3/h7-16,30H,4-6H2,1-3H3,(H,26,32)(H,27,31).
What are the key properties of 5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide?
5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 4.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide is sourced from PubChem (CID 154055006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).