N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide

C26H26N4O3 — CID 42238129

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
SMILESCc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)N(C)Cc4ccc(C)o4)c3)c2)c1
InChIInChI=1S/C26H26N4O3/c1-18-6-4-7-20(12-18)13-25(31)28-22-15-27-30(16-22)23-9-5-8-21(14-23)26(32)29(3)17-24-11-10-19(2)33-24/h4-12,14-16H,13,17H2,1-3H3,(H,28,31)
InChIKeyMODTYJLEKWLJHY-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.54
Rot. Bonds7

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide (PubChem CID 42238129) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
PubChem CID42238129
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
SMILESCc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)N(C)Cc4ccc(C)o4)c3)c2)c1
InChIInChI=1S/C26H26N4O3/c1-18-6-4-7-20(12-18)13-25(31)28-22-15-27-30(16-22)23-9-5-8-21(14-23)26(32)29(3)17-24-11-10-19(2)33-24/h4-12,14-16H,13,17H2,1-3H3,(H,28,31)
InChIKeyMODTYJLEKWLJHY-UHFFFAOYSA-N
XLogP4.54
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide (CID 42238129) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide is Cc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)N(C)Cc4ccc(C)o4)c3)c2)c1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
The InChIKey is MODTYJLEKWLJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-18-6-4-7-20(12-18)13-25(31)28-22-15-27-30(16-22)23-9-5-8-21(14-23)26(32)29(3)17-24-11-10-19(2)33-24/h4-12,14-16H,13,17H2,1-3H3,(H,28,31).
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide has a molecular weight of 442.52 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide is sourced from PubChem (CID 42238129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).