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

C17H15N3O2 — CID 819077

IUPAC4-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C17H15N3O2/c1-22-14-9-7-13(8-10-14)17(21)18-16-11-15(19-20-16)12-5-3-2-4-6-12/h2-11H,1H3,(H2,18,19,20,21)
InChIKeySDDUIHVLNOJLEF-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.34
Rot. Bonds4

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

4-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide (PubChem CID 819077) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
PubChem CID819077
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name4-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C17H15N3O2/c1-22-14-9-7-13(8-10-14)17(21)18-16-11-15(19-20-16)12-5-3-2-4-6-12/h2-11H,1H3,(H2,18,19,20,21)
InChIKeySDDUIHVLNOJLEF-UHFFFAOYSA-N
XLogP3.34
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide (CID 819077) is 4-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide is COc1ccc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)cc1.
What is the InChIKey of 4-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is SDDUIHVLNOJLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-14-9-7-13(8-10-14)17(21)18-16-11-15(19-20-16)12-5-3-2-4-6-12/h2-11H,1H3,(H2,18,19,20,21).
What are the key properties of 4-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide?
4-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 293.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 819077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).