5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(7-methoxynaphthalen-2-yl)ethyl]-4-methylpyrazole-3-carboxamide

C30H24Cl3N3O2 — CID 129010777

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(7-methoxynaphthalen-2-yl)ethyl]-4-methylpyrazole-3-carboxamide
SMILESCOc1ccc2ccc(CCNC(=O)c3nn(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)c3C)cc2c1
InChIInChI=1S/C30H24Cl3N3O2/c1-18-28(30(37)34-14-13-19-3-4-20-7-11-25(38-2)16-22(20)15-19)35-36(27-12-10-24(32)17-26(27)33)29(18)21-5-8-23(31)9-6-21/h3-12,15-17H,13-14H2,1-2H3,(H,34,37)
InChIKeyDKGCRJVCOSBWEA-UHFFFAOYSA-N
MW564.90 g/mol
LogP7.94
Rot. Bonds7

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(7-methoxynaphthalen-2-yl)ethyl]-4-methylpyrazole-3-carboxamide

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(7-methoxynaphthalen-2-yl)ethyl]-4-methylpyrazole-3-carboxamide (PubChem CID 129010777) has the molecular formula C30H24Cl3N3O2 and a molecular weight of 564.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(7-methoxynaphthalen-2-yl)ethyl]-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(7-methoxynaphthalen-2-yl)ethyl]-4-methylpyrazole-3-carboxamide
PubChem CID129010777
Molecular FormulaC30H24Cl3N3O2
Molecular Weight564.90 g/mol
Exact Mass563.09
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(7-methoxynaphthalen-2-yl)ethyl]-4-methylpyrazole-3-carboxamide
SMILESCOc1ccc2ccc(CCNC(=O)c3nn(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)c3C)cc2c1
InChIInChI=1S/C30H24Cl3N3O2/c1-18-28(30(37)34-14-13-19-3-4-20-7-11-25(38-2)16-22(20)15-19)35-36(27-12-10-24(32)17-26(27)33)29(18)21-5-8-23(31)9-6-21/h3-12,15-17H,13-14H2,1-2H3,(H,34,37)
InChIKeyDKGCRJVCOSBWEA-UHFFFAOYSA-N
XLogP7.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.90
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Mk-0893
CID 11570626
3-(4-(1-(3-(3,5-Dichlorophenyl)-5-(6-methoxynaphthalen-2-YL)-1H-pyrazol-1-YL)ethyl)benzamido)propanoic acid
CID 57882748
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
1-(2'',4''-dichlorophenyl)-6-methyl-N-p-methoxyphenyl-1,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide
CID 16094755
3-[[4-[1-[3-(3,5-Dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-4-methylpyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
CID 145967685
3-[[4-[(1R)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-4-methylpyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
CID 145967741
3-[[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-4-methylpyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
CID 145989050
3-[[4-[(1R)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
CID 11527170
N-[2-[2-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide
CID 44372607
3-[[4-[[3-(3,5-Dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
CID 60170768
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[7-[7-[[2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylacetyl]amino]heptyl-methylamino]heptyl]-4-methylpyrazole-3-carboxamide
CID 90680829
[4-[[2-[2-(benzylamino)-2-oxoethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenyl] 7-[7-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]heptyl-methylamino]heptanoate
CID 90680834

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(7-methoxynaphthalen-2-yl)ethyl]-4-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(7-methoxynaphthalen-2-yl)ethyl]-4-methylpyrazole-3-carboxamide (CID 129010777) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(7-methoxynaphthalen-2-yl)ethyl]-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(7-methoxynaphthalen-2-yl)ethyl]-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(7-methoxynaphthalen-2-yl)ethyl]-4-methylpyrazole-3-carboxamide is COc1ccc2ccc(CCNC(=O)c3nn(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)c3C)cc2c1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(7-methoxynaphthalen-2-yl)ethyl]-4-methylpyrazole-3-carboxamide?
The InChIKey is DKGCRJVCOSBWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Cl3N3O2/c1-18-28(30(37)34-14-13-19-3-4-20-7-11-25(38-2)16-22(20)15-19)35-36(27-12-10-24(32)17-26(27)33)29(18)21-5-8-23(31)9-6-21/h3-12,15-17H,13-14H2,1-2H3,(H,34,37).
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(7-methoxynaphthalen-2-yl)ethyl]-4-methylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[2-(7-methoxynaphthalen-2-yl)ethyl]-4-methylpyrazole-3-carboxamide has a molecular weight of 564.90 g/mol, XLogP of 7.94, 7 rotatable bonds, 1 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-[2-(7-methoxynaphthalen-2-yl)ethyl]-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 129010777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).