5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide

C25H28N4O3 — CID 154054872

IUPAC5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide
SMILESCCCNC(=O)n1nc(-c2cc(NC(=O)c3ccc(CC)cc3)ccc2O)cc1C1CC1
InChIInChI=1S/C25H28N4O3/c1-3-13-26-25(32)29-22(17-9-10-17)15-21(28-29)20-14-19(11-12-23(20)30)27-24(31)18-7-5-16(4-2)6-8-18/h5-8,11-12,14-15,17,30H,3-4,9-10,13H2,1-2H3,(H,26,32)(H,27,31)
InChIKeyFJJONZCOLDZHTK-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.92
Rot. Bonds7

About 5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide

5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide (PubChem CID 154054872) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide
PubChem CID154054872
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide
SMILESCCCNC(=O)n1nc(-c2cc(NC(=O)c3ccc(CC)cc3)ccc2O)cc1C1CC1
InChIInChI=1S/C25H28N4O3/c1-3-13-26-25(32)29-22(17-9-10-17)15-21(28-29)20-14-19(11-12-23(20)30)27-24(31)18-7-5-16(4-2)6-8-18/h5-8,11-12,14-15,17,30H,3-4,9-10,13H2,1-2H3,(H,26,32)(H,27,31)
InChIKeyFJJONZCOLDZHTK-UHFFFAOYSA-N
XLogP4.92
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-propylpyrazole-1-carboxamide
CID 154054449
N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054851
5-cyclobutyl-N-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054854
5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide
CID 154055874
5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055004
5-cyclopropyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154055856
5-cyclobutyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]-N-propylpyrazole-1-carboxamide
CID 154054598
5-cyclobutyl-N-[(3,4-dichlorophenyl)methyl]-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055851
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055045
5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154055006
5-cyclopentyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055837
3-[5-[(4-tert-butylbenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(3,4-dichlorophenyl)methyl]pyrazole-1-carboxamide
CID 154054937

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide?
The IUPAC name of 5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide (CID 154054872) is 5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide.
What is the SMILES notation for 5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide?
The canonical SMILES for 5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide is CCCNC(=O)n1nc(-c2cc(NC(=O)c3ccc(CC)cc3)ccc2O)cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide?
The InChIKey is FJJONZCOLDZHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-3-13-26-25(32)29-22(17-9-10-17)15-21(28-29)20-14-19(11-12-23(20)30)27-24(31)18-7-5-16(4-2)6-8-18/h5-8,11-12,14-15,17,30H,3-4,9-10,13H2,1-2H3,(H,26,32)(H,27,31).
What are the key properties of 5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide?
5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide is sourced from PubChem (CID 154054872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).