5-chloro-2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide

C17H15ClN4O2 — CID 165415121

IUPAC5-chloro-2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cc(-c2ccccn2)nn1C
InChIInChI=1S/C17H15ClN4O2/c1-22-16(10-14(21-22)13-5-3-4-8-19-13)20-17(23)12-9-11(18)6-7-15(12)24-2/h3-10H,1-2H3,(H,20,23)
InChIKeyDCFOUBDXEQOXHZ-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.40
Rot. Bonds4

About 5-chloro-2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide

5-chloro-2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide (PubChem CID 165415121) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide
PubChem CID165415121
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name5-chloro-2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cc(-c2ccccn2)nn1C
InChIInChI=1S/C17H15ClN4O2/c1-22-16(10-14(21-22)13-5-3-4-8-19-13)20-17(23)12-9-11(18)6-7-15(12)24-2/h3-10H,1-2H3,(H,20,23)
InChIKeyDCFOUBDXEQOXHZ-UHFFFAOYSA-N
XLogP3.40
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide (CID 165415121) is 5-chloro-2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide is COc1ccc(Cl)cc1C(=O)Nc1cc(-c2ccccn2)nn1C.
What is the InChIKey of 5-chloro-2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide?
The InChIKey is DCFOUBDXEQOXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-22-16(10-14(21-22)13-5-3-4-8-19-13)20-17(23)12-9-11(18)6-7-15(12)24-2/h3-10H,1-2H3,(H,20,23).
What are the key properties of 5-chloro-2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide?
5-chloro-2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide has a molecular weight of 342.79 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide is sourced from PubChem (CID 165415121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).