5-cyclobutyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]-N-propylpyrazole-1-carboxamide

C22H24N4O3S — CID 154054598

IUPAC5-cyclobutyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]-N-propylpyrazole-1-carboxamide
SMILESCCCNC(=O)n1nc(-c2cc(NC(=O)c3cccs3)ccc2O)cc1C1CCC1
InChIInChI=1S/C22H24N4O3S/c1-2-10-23-22(29)26-18(14-5-3-6-14)13-17(25-26)16-12-15(8-9-19(16)27)24-21(28)20-7-4-11-30-20/h4,7-9,11-14,27H,2-3,5-6,10H2,1H3,(H,23,29)(H,24,28)
InChIKeyCRCYLMLKKLWWQW-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.80
Rot. Bonds6

About 5-cyclobutyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]-N-propylpyrazole-1-carboxamide

5-cyclobutyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]-N-propylpyrazole-1-carboxamide (PubChem CID 154054598) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 5-cyclobutyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]-N-propylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-cyclobutyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]-N-propylpyrazole-1-carboxamide
PubChem CID154054598
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name5-cyclobutyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]-N-propylpyrazole-1-carboxamide
SMILESCCCNC(=O)n1nc(-c2cc(NC(=O)c3cccs3)ccc2O)cc1C1CCC1
InChIInChI=1S/C22H24N4O3S/c1-2-10-23-22(29)26-18(14-5-3-6-14)13-17(25-26)16-12-15(8-9-19(16)27)24-21(28)20-7-4-11-30-20/h4,7-9,11-14,27H,2-3,5-6,10H2,1H3,(H,23,29)(H,24,28)
InChIKeyCRCYLMLKKLWWQW-UHFFFAOYSA-N
XLogP4.80
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.80
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

N-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide
CID 154055598
N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide
CID 154054604
5-cyclopropyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055614
3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-propylpyrazole-1-carboxamide
CID 154054449
N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide
CID 154055593
2-chloro-N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055345
N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055473
3-[5-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclobutyl-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154054393
2-chloro-N-[4-[5-cyclopropyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055372
5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055130
N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054851
N-benzyl-3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154055185

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]-N-propylpyrazole-1-carboxamide?
The IUPAC name of 5-cyclobutyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]-N-propylpyrazole-1-carboxamide (CID 154054598) is 5-cyclobutyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]-N-propylpyrazole-1-carboxamide.
What is the SMILES notation for 5-cyclobutyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]-N-propylpyrazole-1-carboxamide?
The canonical SMILES for 5-cyclobutyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]-N-propylpyrazole-1-carboxamide is CCCNC(=O)n1nc(-c2cc(NC(=O)c3cccs3)ccc2O)cc1C1CCC1.
What is the InChIKey of 5-cyclobutyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]-N-propylpyrazole-1-carboxamide?
The InChIKey is CRCYLMLKKLWWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-2-10-23-22(29)26-18(14-5-3-6-14)13-17(25-26)16-12-15(8-9-19(16)27)24-21(28)20-7-4-11-30-20/h4,7-9,11-14,27H,2-3,5-6,10H2,1H3,(H,23,29)(H,24,28).
What are the key properties of 5-cyclobutyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]-N-propylpyrazole-1-carboxamide?
5-cyclobutyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]-N-propylpyrazole-1-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 4.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]-N-propylpyrazole-1-carboxamide is sourced from PubChem (CID 154054598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).