N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide

C22H17ClN4O3 — CID 55514182

IUPACN-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C22H17ClN4O3/c1-14(28)24-16-6-3-7-17(12-16)25-22(29)19-13-20(21-9-4-10-30-21)27(26-19)18-8-2-5-15(23)11-18/h2-13H,1H3,(H,24,28)(H,25,29)
InChIKeyQRBAFFNGFATFCP-UHFFFAOYSA-N
MW420.86 g/mol
LogP5.00
Rot. Bonds5

About N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide

N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide (PubChem CID 55514182) has the molecular formula C22H17ClN4O3 and a molecular weight of 420.86 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
PubChem CID55514182
Molecular FormulaC22H17ClN4O3
Molecular Weight420.86 g/mol
Exact Mass420.10
IUPAC NameN-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C22H17ClN4O3/c1-14(28)24-16-6-3-7-17(12-16)25-22(29)19-13-20(21-9-4-10-30-21)27(26-19)18-8-2-5-15(23)11-18/h2-13H,1H3,(H,24,28)(H,25,29)
InChIKeyQRBAFFNGFATFCP-UHFFFAOYSA-N
XLogP5.00
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.86
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55991120
N-(4-acetyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 52554967
1-(3-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55514272
1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide
CID 32738812
methyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate
CID 55845539
1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide
CID 34838039
1-(3-chlorophenyl)-N'-(2,5-dimethylfuran-3-carbonyl)-5-(furan-2-yl)pyrazole-3-carbohydrazide
CID 32617649
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 119457602
methyl 4-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]butanoate
CID 32614568
1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide
CID 49395004
methyl 2-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55519428
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 30391460

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide (CID 55514182) is N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide?
The InChIKey is QRBAFFNGFATFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3/c1-14(28)24-16-6-3-7-17(12-16)25-22(29)19-13-20(21-9-4-10-30-21)27(26-19)18-8-2-5-15(23)11-18/h2-13H,1H3,(H,24,28)(H,25,29).
What are the key properties of N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide?
N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide has a molecular weight of 420.86 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 55514182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).