N-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

C23H25ClN4O2 — CID 46580476

IUPACN-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)c1
InChIInChI=1S/C23H25ClN4O2/c1-14(2)22-21(13-25-28(22)20-10-8-18(24)9-11-20)23(30)26-15(3)17-6-5-7-19(12-17)27-16(4)29/h5-15H,1-4H3,(H,26,30)(H,27,29)
InChIKeyZMRIGYCRZHCHKK-UHFFFAOYSA-N
MW424.93 g/mol
LogP5.10
Rot. Bonds6

About N-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

N-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 46580476) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID46580476
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)c1
InChIInChI=1S/C23H25ClN4O2/c1-14(2)22-21(13-25-28(22)20-10-8-18(24)9-11-20)23(30)26-15(3)17-6-5-7-19(12-17)27-16(4)29/h5-15H,1-4H3,(H,26,30)(H,27,29)
InChIKeyZMRIGYCRZHCHKK-UHFFFAOYSA-N
XLogP5.10
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.93
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 46581987
N-[3-(carbamoylamino)phenyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31814455
N-[1-(3-acetamidophenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55585413
1-(4-chlorophenyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55894145
1-(4-chlorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55585824
N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 39575068
N-(3-acetamido-4-methoxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 37081472
1-(4-chlorophenyl)-N-[3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 71910271
N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55957523
N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide
CID 55585286
1-(4-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 43057524
N-(3-acetamidophenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18270790

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 46580476) is N-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is CC(=O)Nc1cccc(C(C)NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is ZMRIGYCRZHCHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-14(2)22-21(13-25-28(22)20-10-8-18(24)9-11-20)23(30)26-15(3)17-6-5-7-19(12-17)27-16(4)29/h5-15H,1-4H3,(H,26,30)(H,27,29).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 46580476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).