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

C18H17N3O3 — CID 35532110

IUPAC3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)cc1OC
InChIInChI=1S/C18H17N3O3/c1-23-15-9-8-13(10-16(15)24-2)18(22)19-17-11-14(20-21-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,19,20,21,22)
InChIKeyQAZJUVDICQNITG-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.35
Rot. Bonds5

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

3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide (PubChem CID 35532110) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
PubChem CID35532110
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)cc1OC
InChIInChI=1S/C18H17N3O3/c1-23-15-9-8-13(10-16(15)24-2)18(22)19-17-11-14(20-21-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,19,20,21,22)
InChIKeyQAZJUVDICQNITG-UHFFFAOYSA-N
XLogP3.35
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide (CID 35532110) is 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide is COc1ccc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is QAZJUVDICQNITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-15-9-8-13(10-16(15)24-2)18(22)19-17-11-14(20-21-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,19,20,21,22).
What are the key properties of 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide?
3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 323.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 35532110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).