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

C25H26Cl2N4O3 — CID 154055159

IUPAC5-cyclopentyl-3-[5-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
SMILESCC(C)NC(=O)n1nc(-c2cc(NC(=O)c3c(Cl)cccc3Cl)ccc2O)cc1C1CCCC1
InChIInChI=1S/C25H26Cl2N4O3/c1-14(2)28-25(34)31-21(15-6-3-4-7-15)13-20(30-31)17-12-16(10-11-22(17)32)29-24(33)23-18(26)8-5-9-19(23)27/h5,8-15,32H,3-4,6-7H2,1-2H3,(H,28,34)(H,29,33)
InChIKeyNBTJRIOWRLXXIS-UHFFFAOYSA-N
MW501.41 g/mol
LogP6.44
Rot. Bonds5

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

5-cyclopentyl-3-[5-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide (PubChem CID 154055159) has the molecular formula C25H26Cl2N4O3 and a molecular weight of 501.41 g/mol. Its IUPAC name is 5-cyclopentyl-3-[5-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-cyclopentyl-3-[5-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
PubChem CID154055159
Molecular FormulaC25H26Cl2N4O3
Molecular Weight501.41 g/mol
Exact Mass500.14
IUPAC Name5-cyclopentyl-3-[5-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
SMILESCC(C)NC(=O)n1nc(-c2cc(NC(=O)c3c(Cl)cccc3Cl)ccc2O)cc1C1CCCC1
InChIInChI=1S/C25H26Cl2N4O3/c1-14(2)28-25(34)31-21(15-6-3-4-7-15)13-20(30-31)17-12-16(10-11-22(17)32)29-24(33)23-18(26)8-5-9-19(23)27/h5,8-15,32H,3-4,6-7H2,1-2H3,(H,28,34)(H,29,33)
InChIKeyNBTJRIOWRLXXIS-UHFFFAOYSA-N
XLogP6.44
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.41
LogP ≤ 56.44
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

5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 135493282
3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-propan-2-ylpyrazole-1-carboxamide
CID 154055223
5-cyclobutyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154054760
5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154055006
5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154055712
N-butan-2-yl-5-cyclopentyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]pyrazole-1-carboxamide
CID 154054734
5-cyclopropyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135529387
N-benzyl-3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154055185
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154054997
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055018
N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054623
N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide
CID 154054604

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-[5-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide?
The IUPAC name of 5-cyclopentyl-3-[5-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide (CID 154055159) is 5-cyclopentyl-3-[5-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide.
What is the SMILES notation for 5-cyclopentyl-3-[5-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide?
The canonical SMILES for 5-cyclopentyl-3-[5-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide is CC(C)NC(=O)n1nc(-c2cc(NC(=O)c3c(Cl)cccc3Cl)ccc2O)cc1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-3-[5-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide?
The InChIKey is NBTJRIOWRLXXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N4O3/c1-14(2)28-25(34)31-21(15-6-3-4-7-15)13-20(30-31)17-12-16(10-11-22(17)32)29-24(33)23-18(26)8-5-9-19(23)27/h5,8-15,32H,3-4,6-7H2,1-2H3,(H,28,34)(H,29,33).
What are the key properties of 5-cyclopentyl-3-[5-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide?
5-cyclopentyl-3-[5-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide has a molecular weight of 501.41 g/mol, XLogP of 6.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-[5-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide is sourced from PubChem (CID 154055159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).