N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanamide

C22H16Cl3N5O — CID 24850406

IUPACN-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanamide
SMILESO=C(CCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)nn2)n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl3N5O/c23-15-3-1-14(2-4-15)19-13-18(29-30(19)21-11-10-20(25)27-28-21)9-12-22(31)26-17-7-5-16(24)6-8-17/h1-8,10-11,13H,9,12H2,(H,26,31)
InChIKeyHSSLPQJLCFNBKG-UHFFFAOYSA-N
MW472.76 g/mol
LogP5.86
Rot. Bonds6

About N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanamide

N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanamide (PubChem CID 24850406) has the molecular formula C22H16Cl3N5O and a molecular weight of 472.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanamide
PubChem CID24850406
Molecular FormulaC22H16Cl3N5O
Molecular Weight472.76 g/mol
Exact Mass471.04
IUPAC NameN-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanamide
SMILESO=C(CCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)nn2)n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl3N5O/c23-15-3-1-14(2-4-15)19-13-18(29-30(19)21-11-10-20(25)27-28-21)9-12-22(31)26-17-7-5-16(24)6-8-17/h1-8,10-11,13H,9,12H2,(H,26,31)
InChIKeyHSSLPQJLCFNBKG-UHFFFAOYSA-N
XLogP5.86
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.76
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(6-chloropyridazin-3-yl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propanoic acid
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3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid
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1-(6-chloropyridazin-3-yl)-5-phenylpyrazole-3-carboxylic acid
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ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate
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3-[1-[4-(tert-butylcarbamoylamino)phenyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]-N-methylpropanamide
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N-(4-chlorophenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanamide (CID 24850406) is N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanamide is O=C(CCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)nn2)n1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanamide?
The InChIKey is HSSLPQJLCFNBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3N5O/c23-15-3-1-14(2-4-15)19-13-18(29-30(19)21-11-10-20(25)27-28-21)9-12-22(31)26-17-7-5-16(24)6-8-17/h1-8,10-11,13H,9,12H2,(H,26,31).
What are the key properties of N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanamide?
N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanamide has a molecular weight of 472.76 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 24850406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).