5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide

C24H24Cl2N4O3 — CID 135493282

IUPAC5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
SMILESCC(C)NC(=O)n1nc(-c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2O)cc1C1CCC1
InChIInChI=1S/C24H24Cl2N4O3/c1-13(2)27-24(33)30-20(14-5-3-6-14)12-19(29-30)16-10-9-15(11-21(16)31)28-23(32)22-17(25)7-4-8-18(22)26/h4,7-14,31H,3,5-6H2,1-2H3,(H,27,33)(H,28,32)
InChIKeyGKZJDTJJVSJLPQ-UHFFFAOYSA-N
MW487.39 g/mol
LogP6.05
Rot. Bonds5

About 5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide

5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide (PubChem CID 135493282) has the molecular formula C24H24Cl2N4O3 and a molecular weight of 487.39 g/mol. Its IUPAC name is 5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
PubChem CID135493282
Molecular FormulaC24H24Cl2N4O3
Molecular Weight487.39 g/mol
Exact Mass486.12
IUPAC Name5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
SMILESCC(C)NC(=O)n1nc(-c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2O)cc1C1CCC1
InChIInChI=1S/C24H24Cl2N4O3/c1-13(2)27-24(33)30-20(14-5-3-6-14)12-19(29-30)16-10-9-15(11-21(16)31)28-23(32)22-17(25)7-4-8-18(22)26/h4,7-14,31H,3,5-6H2,1-2H3,(H,27,33)(H,28,32)
InChIKeyGKZJDTJJVSJLPQ-UHFFFAOYSA-N
XLogP6.05
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.39
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopentyl-3-[5-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154055159
3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-propan-2-ylpyrazole-1-carboxamide
CID 154055223
5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154055712
5-cyclopropyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135529387
3-(4-acetamido-2-hydroxyphenyl)-N-butan-2-yl-5-cyclobutylpyrazole-1-carboxamide
CID 154055774
5-cyclobutyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154054760
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 135493293
5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154055006
2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055358
2-chloro-N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055345
N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide
CID 154055593
5-cyclobutyl-N-[(3,4-dichlorophenyl)methyl]-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055851

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide?
The IUPAC name of 5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide (CID 135493282) is 5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide.
What is the SMILES notation for 5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide?
The canonical SMILES for 5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide is CC(C)NC(=O)n1nc(-c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2O)cc1C1CCC1.
What is the InChIKey of 5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide?
The InChIKey is GKZJDTJJVSJLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O3/c1-13(2)27-24(33)30-20(14-5-3-6-14)12-19(29-30)16-10-9-15(11-21(16)31)28-23(32)22-17(25)7-4-8-18(22)26/h4,7-14,31H,3,5-6H2,1-2H3,(H,27,33)(H,28,32).
What are the key properties of 5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide?
5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide has a molecular weight of 487.39 g/mol, XLogP of 6.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide is sourced from PubChem (CID 135493282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).