2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)benzamide

C17H16N4O2 — CID 46204754

IUPAC2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cn(C)nc1-c1ccccn1
InChIInChI=1S/C17H16N4O2/c1-21-11-14(16(20-21)13-8-5-6-10-18-13)19-17(22)12-7-3-4-9-15(12)23-2/h3-11H,1-2H3,(H,19,22)
InChIKeyQFFSNRUPPCCQJW-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.74
Rot. Bonds4

About 2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)benzamide

2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)benzamide (PubChem CID 46204754) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)benzamide
PubChem CID46204754
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cn(C)nc1-c1ccccn1
InChIInChI=1S/C17H16N4O2/c1-21-11-14(16(20-21)13-8-5-6-10-18-13)19-17(22)12-7-3-4-9-15(12)23-2/h3-11H,1-2H3,(H,19,22)
InChIKeyQFFSNRUPPCCQJW-UHFFFAOYSA-N
XLogP2.74
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)benzamide?
The IUPAC name of 2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)benzamide (CID 46204754) is 2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)benzamide is COc1ccccc1C(=O)Nc1cn(C)nc1-c1ccccn1.
What is the InChIKey of 2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)benzamide?
The InChIKey is QFFSNRUPPCCQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-21-11-14(16(20-21)13-8-5-6-10-18-13)19-17(22)12-7-3-4-9-15(12)23-2/h3-11H,1-2H3,(H,19,22).
What are the key properties of 2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)benzamide?
2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)benzamide is sourced from PubChem (CID 46204754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).