2-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide

C17H15N3O2 — CID 38779449

IUPAC2-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C17H15N3O2/c1-22-16-5-3-2-4-14(16)17(21)19-13-8-6-12(7-9-13)15-10-11-18-20-15/h2-11H,1H3,(H,18,20)(H,19,21)
InChIKeyFXYQLSRDIGRAQR-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.34
Rot. Bonds4

About 2-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide

2-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide (PubChem CID 38779449) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide
PubChem CID38779449
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C17H15N3O2/c1-22-16-5-3-2-4-14(16)17(21)19-13-8-6-12(7-9-13)15-10-11-18-20-15/h2-11H,1H3,(H,18,20)(H,19,21)
InChIKeyFXYQLSRDIGRAQR-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 2-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide (CID 38779449) is 2-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide is COc1ccccc1C(=O)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 2-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide?
The InChIKey is FXYQLSRDIGRAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-16-5-3-2-4-14(16)17(21)19-13-8-6-12(7-9-13)15-10-11-18-20-15/h2-11H,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide?
2-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]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 2-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 38779449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).