4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide

C25H24N4O3 — CID 46334859

IUPAC4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide
SMILESCC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C25H24N4O3/c1-16-6-8-19(9-7-16)23-17(2)28-29(24(23)27-18(3)30)21-12-10-20(11-13-21)25(31)26-15-22-5-4-14-32-22/h4-14H,15H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyZGLPTXOBFMZIDC-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.64
Rot. Bonds6

About 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide

4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 46334859) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide
PubChem CID46334859
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide
SMILESCC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C25H24N4O3/c1-16-6-8-19(9-7-16)23-17(2)28-29(24(23)27-18(3)30)21-12-10-20(11-13-21)25(31)26-15-22-5-4-14-32-22/h4-14H,15H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyZGLPTXOBFMZIDC-UHFFFAOYSA-N
XLogP4.64
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-benzylbenzamide
CID 46334888
4-(5-acetamido-3-methyl-4-phenylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 46334780
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)benzamide
CID 44762282
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92873032
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-pyridin-2-ylbenzamide
CID 46334892
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 20934582
N-(furan-2-ylmethyl)-4-(5-methyltetrazol-1-yl)benzamide
CID 53370069
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-phenylbenzamide
CID 46334913
N-(furan-2-ylmethyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 42880848
4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-(3-methylphenyl)benzamide
CID 46334959
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide
CID 46334908
N-(furan-2-ylmethyl)-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
CID 7676321

Frequently Asked Questions

What is the IUPAC name of 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide (CID 46334859) is 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide is CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is ZGLPTXOBFMZIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-16-6-8-19(9-7-16)23-17(2)28-29(24(23)27-18(3)30)21-12-10-20(11-13-21)25(31)26-15-22-5-4-14-32-22/h4-14H,15H2,1-3H3,(H,26,31)(H,27,30).
What are the key properties of 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide?
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 428.49 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 46334859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).