2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide

C26H22N4O3 — CID 176857987

IUPAC2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide
SMILESCC(=O)c1ccccc1C(=O)Nc1ccc(-c2cc(NC(=O)c3ccccc3)n(C)n2)cc1
InChIInChI=1S/C26H22N4O3/c1-17(31)21-10-6-7-11-22(21)26(33)27-20-14-12-18(13-15-20)23-16-24(30(2)29-23)28-25(32)19-8-4-3-5-9-19/h3-16H,1-2H3,(H,27,33)(H,28,32)
InChIKeyRHXOMZCYPRWPGL-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.79
Rot. Bonds6

About 2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide

2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide (PubChem CID 176857987) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide
PubChem CID176857987
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC Name2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide
SMILESCC(=O)c1ccccc1C(=O)Nc1ccc(-c2cc(NC(=O)c3ccccc3)n(C)n2)cc1
InChIInChI=1S/C26H22N4O3/c1-17(31)21-10-6-7-11-22(21)26(33)27-20-14-12-18(13-15-20)23-16-24(30(2)29-23)28-25(32)19-8-4-3-5-9-19/h3-16H,1-2H3,(H,27,33)(H,28,32)
InChIKeyRHXOMZCYPRWPGL-UHFFFAOYSA-N
XLogP4.79
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide
CID 176857902
N-[3-(4-benzamidophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
CID 170346252
methyl 3-[[3-(4-benzamidophenyl)-1-methylpyrazol-5-yl]carbamoyl]benzoate
CID 170346238
3-[2-[[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]carbamoyl]phenyl]prop-2-ynyl-tert-butylcarbamic acid
CID 170346165
N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-4-(4-prop-2-ynoxybenzoyl)benzamide
CID 170346312
N-[3-[4-[[(E,2E)-4-cyano-2-ethylidenepent-3-enoyl]amino]phenyl]-1-methylpyrazol-5-yl]benzamide
CID 170596524
N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide
CID 170346149
N-[4-[5-[(3-benzoylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-(propoxymethyl)benzamide
CID 176857965
N-[3-[4-[[5-[iodo(phenyl)methyl]cyclohexa-1,5-diene-1-carbonyl]amino]phenyl]-1-methylpyrazol-5-yl]benzamide
CID 170596540
N-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]-2-methoxybenzamide
CID 170596340
[2-[[4-[5-[(3-ethynylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamoyl]phenyl]imino-iminoazanium
CID 176857977
N-[3-[4-(cyclohexa-1,5-diene-1-carbonylamino)phenyl]-1-methylpyrazol-5-yl]pyridine-4-carboxamide
CID 170596427

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide?
The IUPAC name of 2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide (CID 176857987) is 2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide?
The canonical SMILES for 2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide is CC(=O)c1ccccc1C(=O)Nc1ccc(-c2cc(NC(=O)c3ccccc3)n(C)n2)cc1.
What is the InChIKey of 2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide?
The InChIKey is RHXOMZCYPRWPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-17(31)21-10-6-7-11-22(21)26(33)27-20-14-12-18(13-15-20)23-16-24(30(2)29-23)28-25(32)19-8-4-3-5-9-19/h3-16H,1-2H3,(H,27,33)(H,28,32).
What are the key properties of 2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide?
2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide has a molecular weight of 438.49 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 176857987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).