N-[4-(5-acetamido-1-phenylpyrazol-3-yl)phenyl]acetamide

C19H18N4O2 — CID 778690

IUPACN-[4-(5-acetamido-1-phenylpyrazol-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(NC(C)=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H18N4O2/c1-13(24)20-16-10-8-15(9-11-16)18-12-19(21-14(2)25)23(22-18)17-6-4-3-5-7-17/h3-12H,1-2H3,(H,20,24)(H,21,25)
InChIKeyZHEXWBVSNDOUBK-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.46
Rot. Bonds4

About N-[4-(5-acetamido-1-phenylpyrazol-3-yl)phenyl]acetamide

N-[4-(5-acetamido-1-phenylpyrazol-3-yl)phenyl]acetamide (PubChem CID 778690) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[4-(5-acetamido-1-phenylpyrazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-acetamido-1-phenylpyrazol-3-yl)phenyl]acetamide
PubChem CID778690
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[4-(5-acetamido-1-phenylpyrazol-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(NC(C)=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H18N4O2/c1-13(24)20-16-10-8-15(9-11-16)18-12-19(21-14(2)25)23(22-18)17-6-4-3-5-7-17/h3-12H,1-2H3,(H,20,24)(H,21,25)
InChIKeyZHEXWBVSNDOUBK-UHFFFAOYSA-N
XLogP3.46
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-acetamido-1-phenylpyrazol-3-yl)phenyl]acetamide?
The IUPAC name of N-[4-(5-acetamido-1-phenylpyrazol-3-yl)phenyl]acetamide (CID 778690) is N-[4-(5-acetamido-1-phenylpyrazol-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(5-acetamido-1-phenylpyrazol-3-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(5-acetamido-1-phenylpyrazol-3-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2cc(NC(C)=O)n(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(5-acetamido-1-phenylpyrazol-3-yl)phenyl]acetamide?
The InChIKey is ZHEXWBVSNDOUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13(24)20-16-10-8-15(9-11-16)18-12-19(21-14(2)25)23(22-18)17-6-4-3-5-7-17/h3-12H,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-[4-(5-acetamido-1-phenylpyrazol-3-yl)phenyl]acetamide?
N-[4-(5-acetamido-1-phenylpyrazol-3-yl)phenyl]acetamide has a molecular weight of 334.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-acetamido-1-phenylpyrazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 778690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).