3,4,5-trimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide

C20H21N3O4 — CID 1269291

IUPAC3,4,5-trimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(C)nn2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H21N3O4/c1-13-10-18(23(22-13)15-8-6-5-7-9-15)21-20(24)14-11-16(25-2)19(27-4)17(12-14)26-3/h5-12H,1-4H3,(H,21,24)
InChIKeyODATWTKOTLWJAB-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.46
Rot. Bonds6

About 3,4,5-trimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide

3,4,5-trimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (PubChem CID 1269291) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
PubChem CID1269291
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name3,4,5-trimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(C)nn2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H21N3O4/c1-13-10-18(23(22-13)15-8-6-5-7-9-15)21-20(24)14-11-16(25-2)19(27-4)17(12-14)26-3/h5-12H,1-4H3,(H,21,24)
InChIKeyODATWTKOTLWJAB-UHFFFAOYSA-N
XLogP3.46
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (CID 1269291) is 3,4,5-trimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is COc1cc(C(=O)Nc2cc(C)nn2-c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The InChIKey is ODATWTKOTLWJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-10-18(23(22-13)15-8-6-5-7-9-15)21-20(24)14-11-16(25-2)19(27-4)17(12-14)26-3/h5-12H,1-4H3,(H,21,24).
What are the key properties of 3,4,5-trimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
3,4,5-trimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide has a molecular weight of 367.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 1269291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).