3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-propylpyrazole-1-carboxamide

C24H24N4O5 — CID 154054449

IUPAC3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-propylpyrazole-1-carboxamide
SMILESCCCNC(=O)n1nc(-c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2O)cc1C1CC1
InChIInChI=1S/C24H24N4O5/c1-2-9-25-24(31)28-19(14-3-4-14)12-18(27-28)17-11-16(6-7-20(17)29)26-23(30)15-5-8-21-22(10-15)33-13-32-21/h5-8,10-12,14,29H,2-4,9,13H2,1H3,(H,25,31)(H,26,30)
InChIKeyFYXVEXNNNMVECU-UHFFFAOYSA-N
MW448.48 g/mol
LogP4.08
Rot. Bonds6

About 3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-propylpyrazole-1-carboxamide

3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-propylpyrazole-1-carboxamide (PubChem CID 154054449) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-propylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-propylpyrazole-1-carboxamide
PubChem CID154054449
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-propylpyrazole-1-carboxamide
SMILESCCCNC(=O)n1nc(-c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2O)cc1C1CC1
InChIInChI=1S/C24H24N4O5/c1-2-9-25-24(31)28-19(14-3-4-14)12-18(27-28)17-11-16(6-7-20(17)29)26-23(30)15-5-8-21-22(10-15)33-13-32-21/h5-8,10-12,14,29H,2-4,9,13H2,1H3,(H,25,31)(H,26,30)
InChIKeyFYXVEXNNNMVECU-UHFFFAOYSA-N
XLogP4.08
TPSA114.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-propylpyrazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide
CID 154054872
3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154054446
5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide
CID 154055874
5-cyclobutyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]-N-propylpyrazole-1-carboxamide
CID 154054598
5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055004
5-cyclopropyl-N-ethyl-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154055082
N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055473
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055045
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154054997
N-[3-[5-cyclobutyl-1-[(2-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide
CID 154054469
N-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054992
N-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055519

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-propylpyrazole-1-carboxamide?
The IUPAC name of 3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-propylpyrazole-1-carboxamide (CID 154054449) is 3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-propylpyrazole-1-carboxamide.
What is the SMILES notation for 3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-propylpyrazole-1-carboxamide?
The canonical SMILES for 3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-propylpyrazole-1-carboxamide is CCCNC(=O)n1nc(-c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2O)cc1C1CC1.
What is the InChIKey of 3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-propylpyrazole-1-carboxamide?
The InChIKey is FYXVEXNNNMVECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-2-9-25-24(31)28-19(14-3-4-14)12-18(27-28)17-11-16(6-7-20(17)29)26-23(30)15-5-8-21-22(10-15)33-13-32-21/h5-8,10-12,14,29H,2-4,9,13H2,1H3,(H,25,31)(H,26,30).
What are the key properties of 3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-propylpyrazole-1-carboxamide?
3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-propylpyrazole-1-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 4.08, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-propylpyrazole-1-carboxamide is sourced from PubChem (CID 154054449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).