3,4,5-trimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide

C19H19N3O4 — CID 1378646

IUPAC3,4,5-trimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-24-15-9-13(10-16(25-2)18(15)26-3)19(23)20-17-11-14(21-22-17)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,20,21,22,23)
InChIKeyUOJCQLKDQQMPRY-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.35
Rot. Bonds6

About 3,4,5-trimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide

3,4,5-trimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide (PubChem CID 1378646) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
PubChem CID1378646
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name3,4,5-trimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-24-15-9-13(10-16(25-2)18(15)26-3)19(23)20-17-11-14(21-22-17)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,20,21,22,23)
InChIKeyUOJCQLKDQQMPRY-UHFFFAOYSA-N
XLogP3.35
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide (CID 1378646) is 3,4,5-trimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide is COc1cc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is UOJCQLKDQQMPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-24-15-9-13(10-16(25-2)18(15)26-3)19(23)20-17-11-14(21-22-17)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,20,21,22,23).
What are the key properties of 3,4,5-trimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide?
3,4,5-trimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 353.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 1378646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).