N-methyl-4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzamide

C17H16N4O — CID 54582674

IUPACN-methyl-4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzamide
SMILESCNC(=O)c1ccc(-c2cn(C)nc2-c2ccncc2)cc1
InChIInChI=1S/C17H16N4O/c1-18-17(22)14-5-3-12(4-6-14)15-11-21(2)20-16(15)13-7-9-19-10-8-13/h3-11H,1-2H3,(H,18,22)
InChIKeyXUMHNHGOUOTAFH-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.51
Rot. Bonds3

About N-methyl-4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzamide

N-methyl-4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzamide (PubChem CID 54582674) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-methyl-4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-methyl-4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzamide
PubChem CID54582674
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-methyl-4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzamide
SMILESCNC(=O)c1ccc(-c2cn(C)nc2-c2ccncc2)cc1
InChIInChI=1S/C17H16N4O/c1-18-17(22)14-5-3-12(4-6-14)15-11-21(2)20-16(15)13-7-9-19-10-8-13/h3-11H,1-2H3,(H,18,22)
InChIKeyXUMHNHGOUOTAFH-UHFFFAOYSA-N
XLogP2.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzamide?
The IUPAC name of N-methyl-4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzamide (CID 54582674) is N-methyl-4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzamide.
What is the SMILES notation for N-methyl-4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzamide?
The canonical SMILES for N-methyl-4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzamide is CNC(=O)c1ccc(-c2cn(C)nc2-c2ccncc2)cc1.
What is the InChIKey of N-methyl-4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzamide?
The InChIKey is XUMHNHGOUOTAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-18-17(22)14-5-3-12(4-6-14)15-11-21(2)20-16(15)13-7-9-19-10-8-13/h3-11H,1-2H3,(H,18,22).
What are the key properties of N-methyl-4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzamide?
N-methyl-4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzamide has a molecular weight of 292.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)benzamide is sourced from PubChem (CID 54582674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).