3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide

C28H24Cl2N4O3 — CID 154054997

IUPAC3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3Cl)n2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C28H24Cl2N4O3/c29-20-10-8-18(9-11-20)27(36)32-21-12-13-26(35)22(14-21)24-15-25(17-5-3-6-17)34(33-24)28(37)31-16-19-4-1-2-7-23(19)30/h1-2,4,7-15,17,35H,3,5-6,16H2,(H,31,37)(H,32,36)
InChIKeyYFUOQUMOGRTJMK-UHFFFAOYSA-N
MW535.43 g/mol
LogP6.84
Rot. Bonds6

About 3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide

3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide (PubChem CID 154054997) has the molecular formula C28H24Cl2N4O3 and a molecular weight of 535.43 g/mol. Its IUPAC name is 3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide
PubChem CID154054997
Molecular FormulaC28H24Cl2N4O3
Molecular Weight535.43 g/mol
Exact Mass534.12
IUPAC Name3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3Cl)n2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C28H24Cl2N4O3/c29-20-10-8-18(9-11-20)27(36)32-21-12-13-26(35)22(14-21)24-15-25(17-5-3-6-17)34(33-24)28(37)31-16-19-4-1-2-7-23(19)30/h1-2,4,7-15,17,35H,3,5-6,16H2,(H,31,37)(H,32,36)
InChIKeyYFUOQUMOGRTJMK-UHFFFAOYSA-N
XLogP6.84
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.43
LogP ≤ 56.84
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

N-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054992
N-[(2-chlorophenyl)methyl]-5-cyclopentyl-3-[5-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054623
N-[3-[5-cyclobutyl-1-[(2-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide
CID 154054469
N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide
CID 154054604
N-benzyl-3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154055185
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055018
2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055358
N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154055297
3-[5-[(4-tert-butylbenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(3,4-dichlorophenyl)methyl]pyrazole-1-carboxamide
CID 154054937
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055045
N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054851
3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056019

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide?
The IUPAC name of 3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide (CID 154054997) is 3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide.
What is the SMILES notation for 3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide?
The canonical SMILES for 3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide is O=C(Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3Cl)n2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide?
The InChIKey is YFUOQUMOGRTJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N4O3/c29-20-10-8-18(9-11-20)27(36)32-21-12-13-26(35)22(14-21)24-15-25(17-5-3-6-17)34(33-24)28(37)31-16-19-4-1-2-7-23(19)30/h1-2,4,7-15,17,35H,3,5-6,16H2,(H,31,37)(H,32,36).
What are the key properties of 3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide?
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide has a molecular weight of 535.43 g/mol, XLogP of 6.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide is sourced from PubChem (CID 154054997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).