2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide

C19H19N3O3 — CID 2353715

IUPAC2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2cc(C)nn2-c2ccccc2)c1OC
InChIInChI=1S/C19H19N3O3/c1-13-12-17(22(21-13)14-8-5-4-6-9-14)20-19(23)15-10-7-11-16(24-2)18(15)25-3/h4-12H,1-3H3,(H,20,23)
InChIKeyUUWYBIZWVNQISE-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.45
Rot. Bonds5

About 2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide

2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (PubChem CID 2353715) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
PubChem CID2353715
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2cc(C)nn2-c2ccccc2)c1OC
InChIInChI=1S/C19H19N3O3/c1-13-12-17(22(21-13)14-8-5-4-6-9-14)20-19(23)15-10-7-11-16(24-2)18(15)25-3/h4-12H,1-3H3,(H,20,23)
InChIKeyUUWYBIZWVNQISE-UHFFFAOYSA-N
XLogP3.45
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (CID 2353715) is 2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is COc1cccc(C(=O)Nc2cc(C)nn2-c2ccccc2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The InChIKey is UUWYBIZWVNQISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-12-17(22(21-13)14-8-5-4-6-9-14)20-19(23)15-10-7-11-16(24-2)18(15)25-3/h4-12H,1-3H3,(H,20,23).
What are the key properties of 2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide has a molecular weight of 337.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 2353715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).