1-(3,4-dichlorophenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-naphthalen-1-ylethyl]pyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide

C62H51Cl6F4N9O3 — CID 157426888

IUPAC1-(3,4-dichlorophenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-naphthalen-1-ylethyl]pyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccc(F)cc2)cnn1-c1ccc(Cl)c(Cl)c1.Cc1c(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)c(Cl)c1.Cc1c(C(=O)N[C@@H](C)c2cccc3ccccc23)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H19Cl2N3O.C20H16Cl2F3N3O.C19H16Cl2FN3O/c1-14(18-9-5-7-16-6-3-4-8-19(16)18)27-23(29)20-13-26-28(15(20)2)17-10-11-21(24)22(25)12-17;1-11(13-4-3-5-14(8-13)20(23,24)25)27-19(29)16-10-26-28(12(16)2)15-6-7-17(21)18(22)9-15;1-11(13-3-5-14(22)6-4-13)24-19(26)16-10-23-25(12(16)2)15-7-8-17(20)18(21)9-15/h3-14H,1-2H3,(H,27,29);3-11H,1-2H3,(H,27,29);3-11H,1-2H3,(H,24,26)/t14-;11-;/m00./s1
InChIKeyBQBHUKNNPQHYBZ-QYQBPCCFSA-N
MW1258.86 g/mol
LogP17.25
Rot. Bonds12

About 1-(3,4-dichlorophenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-naphthalen-1-ylethyl]pyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide

1-(3,4-dichlorophenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-naphthalen-1-ylethyl]pyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide (PubChem CID 157426888) has the molecular formula C62H51Cl6F4N9O3 and a molecular weight of 1258.86 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-naphthalen-1-ylethyl]pyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-naphthalen-1-ylethyl]pyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
PubChem CID157426888
Molecular FormulaC62H51Cl6F4N9O3
Molecular Weight1258.86 g/mol
Exact Mass1255.22
IUPAC Name1-(3,4-dichlorophenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-naphthalen-1-ylethyl]pyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccc(F)cc2)cnn1-c1ccc(Cl)c(Cl)c1.Cc1c(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)c(Cl)c1.Cc1c(C(=O)N[C@@H](C)c2cccc3ccccc23)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H19Cl2N3O.C20H16Cl2F3N3O.C19H16Cl2FN3O/c1-14(18-9-5-7-16-6-3-4-8-19(16)18)27-23(29)20-13-26-28(15(20)2)17-10-11-21(24)22(25)12-17;1-11(13-4-3-5-14(8-13)20(23,24)25)27-19(29)16-10-26-28(12(16)2)15-6-7-17(21)18(22)9-15;1-11(13-3-5-14(22)6-4-13)24-19(26)16-10-23-25(12(16)2)15-7-8-17(20)18(21)9-15/h3-14H,1-2H3,(H,27,29);3-11H,1-2H3,(H,27,29);3-11H,1-2H3,(H,24,26)/t14-;11-;/m00./s1
InChIKeyBQBHUKNNPQHYBZ-QYQBPCCFSA-N
XLogP17.25
TPSA140.76 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001258.86
LogP ≤ 517.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-(3,4-dichlorophenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-naphthalen-1-ylethyl]pyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-naphthalen-1-ylethyl]pyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-naphthalen-1-ylethyl]pyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide (CID 157426888) is 1-(3,4-dichlorophenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-naphthalen-1-ylethyl]pyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-naphthalen-1-ylethyl]pyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-naphthalen-1-ylethyl]pyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide is Cc1c(C(=O)NC(C)c2ccc(F)cc2)cnn1-c1ccc(Cl)c(Cl)c1.Cc1c(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)c(Cl)c1.Cc1c(C(=O)N[C@@H](C)c2cccc3ccccc23)cnn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-naphthalen-1-ylethyl]pyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide?
The InChIKey is BQBHUKNNPQHYBZ-QYQBPCCFSA-N. The full InChI is InChI=1S/C23H19Cl2N3O.C20H16Cl2F3N3O.C19H16Cl2FN3O/c1-14(18-9-5-7-16-6-3-4-8-19(16)18)27-23(29)20-13-26-28(15(20)2)17-10-11-21(24)22(25)12-17;1-11(13-4-3-5-14(8-13)20(23,24)25)27-19(29)16-10-26-28(12(16)2)15-6-7-17(21)18(22)9-15;1-11(13-3-5-14(22)6-4-13)24-19(26)16-10-23-25(12(16)2)15-7-8-17(20)18(21)9-15/h3-14H,1-2H3,(H,27,29);3-11H,1-2H3,(H,27,29);3-11H,1-2H3,(H,24,26)/t14-;11-;/m00./s1.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-naphthalen-1-ylethyl]pyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide?
1-(3,4-dichlorophenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-naphthalen-1-ylethyl]pyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide has a molecular weight of 1258.86 g/mol, XLogP of 17.25, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-naphthalen-1-ylethyl]pyrazole-4-carboxamide;1-(3,4-dichlorophenyl)-5-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 157426888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).