N-[5-oxo-2-(pyridine-4-carbonyl)-1H-pyrazol-4-yl]benzamide

C16H12N4O3 — CID 10804705

IUPACN-[5-oxo-2-(pyridine-4-carbonyl)-1H-pyrazol-4-yl]benzamide
SMILESO=C(Nc1cn(C(=O)c2ccncc2)[nH]c1=O)c1ccccc1
InChIInChI=1S/C16H12N4O3/c21-14(11-4-2-1-3-5-11)18-13-10-20(19-15(13)22)16(23)12-6-8-17-9-7-12/h1-10H,(H,18,21)(H,19,22)
InChIKeyCNVQWKUMMRQLAM-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.51
Rot. Bonds3

About N-[5-oxo-2-(pyridine-4-carbonyl)-1H-pyrazol-4-yl]benzamide

N-[5-oxo-2-(pyridine-4-carbonyl)-1H-pyrazol-4-yl]benzamide (PubChem CID 10804705) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-[5-oxo-2-(pyridine-4-carbonyl)-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[5-oxo-2-(pyridine-4-carbonyl)-1H-pyrazol-4-yl]benzamide
PubChem CID10804705
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC NameN-[5-oxo-2-(pyridine-4-carbonyl)-1H-pyrazol-4-yl]benzamide
SMILESO=C(Nc1cn(C(=O)c2ccncc2)[nH]c1=O)c1ccccc1
InChIInChI=1S/C16H12N4O3/c21-14(11-4-2-1-3-5-11)18-13-10-20(19-15(13)22)16(23)12-6-8-17-9-7-12/h1-10H,(H,18,21)(H,19,22)
InChIKeyCNVQWKUMMRQLAM-UHFFFAOYSA-N
XLogP1.51
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-2-(pyridine-4-carbonyl)-1H-pyrazol-4-yl]benzamide?
The IUPAC name of N-[5-oxo-2-(pyridine-4-carbonyl)-1H-pyrazol-4-yl]benzamide (CID 10804705) is N-[5-oxo-2-(pyridine-4-carbonyl)-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[5-oxo-2-(pyridine-4-carbonyl)-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for N-[5-oxo-2-(pyridine-4-carbonyl)-1H-pyrazol-4-yl]benzamide is O=C(Nc1cn(C(=O)c2ccncc2)[nH]c1=O)c1ccccc1.
What is the InChIKey of N-[5-oxo-2-(pyridine-4-carbonyl)-1H-pyrazol-4-yl]benzamide?
The InChIKey is CNVQWKUMMRQLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c21-14(11-4-2-1-3-5-11)18-13-10-20(19-15(13)22)16(23)12-6-8-17-9-7-12/h1-10H,(H,18,21)(H,19,22).
What are the key properties of N-[5-oxo-2-(pyridine-4-carbonyl)-1H-pyrazol-4-yl]benzamide?
N-[5-oxo-2-(pyridine-4-carbonyl)-1H-pyrazol-4-yl]benzamide has a molecular weight of 308.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-2-(pyridine-4-carbonyl)-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 10804705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).