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

C23H16Cl3N3O2 — CID 70693933

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(3-hydroxyphenyl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2cccc(O)c2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl3N3O2/c1-13-21(23(31)27-17-3-2-4-18(30)12-17)28-29(20-10-9-16(25)11-19(20)26)22(13)14-5-7-15(24)8-6-14/h2-12,30H,1H3,(H,27,31)
InChIKeyKBDDMDHJOCKTJB-UHFFFAOYSA-N
MW472.76 g/mol
LogP6.77
Rot. Bonds4

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

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(3-hydroxyphenyl)-4-methylpyrazole-3-carboxamide (PubChem CID 70693933) 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-(3-hydroxyphenyl)-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(3-hydroxyphenyl)-4-methylpyrazole-3-carboxamide
PubChem CID70693933
Molecular FormulaC23H16Cl3N3O2
Molecular Weight472.76 g/mol
Exact Mass471.03
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(3-hydroxyphenyl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2cccc(O)c2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl3N3O2/c1-13-21(23(31)27-17-3-2-4-18(30)12-17)28-29(20-10-9-16(25)11-19(20)26)22(13)14-5-7-15(24)8-6-14/h2-12,30H,1H3,(H,27,31)
InChIKeyKBDDMDHJOCKTJB-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

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Related Compounds

1-(2,4-Dichloro-phenyl)-5-(4-hydroxy-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide
CID 135512802
Ethyl 2-[3-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]phenoxy]-2-methylpropanoate
CID 53356799
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-hydroxyphenyl)-4-methylpyrazole-3-carboxamide
CID 70685551
(4-Benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-5-(4-hydroxyphenyl)pyrazol-3-yl]methanone
CID 137653761
8-[(5-Amino-2-chlorobenzoyl)amino]-1-(3-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride
CID 22291561
1-(2,4-dichlorophenyl)-4-ethyl-5-(4-hydroxyphenyl)-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide
CID 136208106
1-(2,4-Dichlorophenyl)-4-hydroxymethyl-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxylic acid (4,4-difluoro-cyclohexyl)-amide
CID 11504419
4-(1-(2,4-dichlorophenyl)-3-{[(3,4-difluoro-2-hydroxyphenyl)amino]carbonyl}-4-methyl-1H-pyrazol-5-yl)phenyl 3,3,3-trifluoropropane-1-sulfonate
CID 16040468
8-[(5-Amino-2-chlorobenzoyl)amino]-1-(3-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291562
N-[5-chloro-2-hydroxy-4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 23562056
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-hydroxy-2-methylphenyl)benzamide
CID 59631888
N-(2-chloro-3-hydroxy-4-methylphenyl)-4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzamide
CID 59631972

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(3-hydroxyphenyl)-4-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(3-hydroxyphenyl)-4-methylpyrazole-3-carboxamide (CID 70693933) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(3-hydroxyphenyl)-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(3-hydroxyphenyl)-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(3-hydroxyphenyl)-4-methylpyrazole-3-carboxamide is Cc1c(C(=O)Nc2cccc(O)c2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(3-hydroxyphenyl)-4-methylpyrazole-3-carboxamide?
The InChIKey is KBDDMDHJOCKTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3N3O2/c1-13-21(23(31)27-17-3-2-4-18(30)12-17)28-29(20-10-9-16(25)11-19(20)26)22(13)14-5-7-15(24)8-6-14/h2-12,30H,1H3,(H,27,31).
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(3-hydroxyphenyl)-4-methylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(3-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-(3-hydroxyphenyl)-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 70693933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).