5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-hydroxyphenyl)-4-methylpyrazole-3-carboxamide

C23H16Cl3N3O2 — CID 70685551

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-hydroxyphenyl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(O)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl3N3O2/c1-13-21(23(31)27-17-7-9-18(30)10-8-17)28-29(20-11-6-16(25)12-19(20)26)22(13)14-2-4-15(24)5-3-14/h2-12,30H,1H3,(H,27,31)
InChIKeyAONQVKRIOAZBTM-UHFFFAOYSA-N
MW472.76 g/mol
LogP6.77
Rot. Bonds4

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-hydroxyphenyl)-4-methylpyrazole-3-carboxamide

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-hydroxyphenyl)-4-methylpyrazole-3-carboxamide (PubChem CID 70685551) has the molecular formula C23H16Cl3N3O2 and a molecular weight of 472.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-hydroxyphenyl)-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-hydroxyphenyl)-4-methylpyrazole-3-carboxamide
PubChem CID70685551
Molecular FormulaC23H16Cl3N3O2
Molecular Weight472.76 g/mol
Exact Mass471.03
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-hydroxyphenyl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(O)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl3N3O2/c1-13-21(23(31)27-17-7-9-18(30)10-8-17)28-29(20-11-6-16(25)12-19(20)26)22(13)14-2-4-15(24)5-3-14/h2-12,30H,1H3,(H,27,31)
InChIKeyAONQVKRIOAZBTM-UHFFFAOYSA-N
XLogP6.77
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.76
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-chloro-3-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
CID 11613200
5-(4-Chlorophenyl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide
CID 24880775
Benzyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carbonylcarbamate
CID 25015787
1-(2,4-Dichloro-phenyl)-5-(4-hydroxy-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide
CID 135512802
Ethyl 2-[4-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]phenoxy]-2-methylpropanoate
CID 70683449
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(3-hydroxyphenyl)-4-methylpyrazole-3-carboxamide
CID 70693933
8-[(5-Amino-2-chlorobenzoyl)amino]-1-(4-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291694
5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methylpyrazole-3-carboxamide
CID 137175244
N-(3-chloro-4-hydroxyphenyl)-4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzamide
CID 59632024
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(4-hydroxy-3-methylphenyl)benzamide
CID 59632508
1-[4-[1-(2,4-Dichlorophenyl)-3-[(3,4-difluoro-2-hydroxyphenyl)carbamoyl]-4-methylpyrazol-5-yl]phenyl]-3,3,3-trifluoropropane-1-sulfonic acid
CID 87742916
1-(2,4-dichlorophenyl)-4-[6-(4-fluorophenyl)hexyl]-N-[(2R)-1-(4-hydroxyphenyl)-3-methoxybut-3-en-2-yl]-5-methylpyrazole-3-carboxamide
CID 89244707

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-hydroxyphenyl)-4-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-hydroxyphenyl)-4-methylpyrazole-3-carboxamide (CID 70685551) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-hydroxyphenyl)-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-hydroxyphenyl)-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-hydroxyphenyl)-4-methylpyrazole-3-carboxamide is Cc1c(C(=O)Nc2ccc(O)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-hydroxyphenyl)-4-methylpyrazole-3-carboxamide?
The InChIKey is AONQVKRIOAZBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3N3O2/c1-13-21(23(31)27-17-7-9-18(30)10-8-17)28-29(20-11-6-16(25)12-19(20)26)22(13)14-2-4-15(24)5-3-14/h2-12,30H,1H3,(H,27,31).
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-hydroxyphenyl)-4-methylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-hydroxyphenyl)-4-methylpyrazole-3-carboxamide has a molecular weight of 472.76 g/mol, XLogP of 6.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-hydroxyphenyl)-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 70685551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).