2-[1-(2-methylphenyl)pyrazol-3-yl]benzamide

C17H15N3O — CID 175734660

IUPAC2-[1-(2-methylphenyl)pyrazol-3-yl]benzamide
SMILESCc1ccccc1-n1ccc(-c2ccccc2C(N)=O)n1
InChIInChI=1S/C17H15N3O/c1-12-6-2-5-9-16(12)20-11-10-15(19-20)13-7-3-4-8-14(13)17(18)21/h2-11H,1H3,(H2,18,21)
InChIKeyXQQJYVVXELEHEJ-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.95
Rot. Bonds3

About 2-[1-(2-methylphenyl)pyrazol-3-yl]benzamide

2-[1-(2-methylphenyl)pyrazol-3-yl]benzamide (PubChem CID 175734660) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)pyrazol-3-yl]benzamide
PubChem CID175734660
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-[1-(2-methylphenyl)pyrazol-3-yl]benzamide
SMILESCc1ccccc1-n1ccc(-c2ccccc2C(N)=O)n1
InChIInChI=1S/C17H15N3O/c1-12-6-2-5-9-16(12)20-11-10-15(19-20)13-7-3-4-8-14(13)17(18)21/h2-11H,1H3,(H2,18,21)
InChIKeyXQQJYVVXELEHEJ-UHFFFAOYSA-N
XLogP2.95
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)pyrazol-3-yl]benzamide?
The IUPAC name of 2-[1-(2-methylphenyl)pyrazol-3-yl]benzamide (CID 175734660) is 2-[1-(2-methylphenyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-[1-(2-methylphenyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 2-[1-(2-methylphenyl)pyrazol-3-yl]benzamide is Cc1ccccc1-n1ccc(-c2ccccc2C(N)=O)n1.
What is the InChIKey of 2-[1-(2-methylphenyl)pyrazol-3-yl]benzamide?
The InChIKey is XQQJYVVXELEHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-6-2-5-9-16(12)20-11-10-15(19-20)13-7-3-4-8-14(13)17(18)21/h2-11H,1H3,(H2,18,21).
What are the key properties of 2-[1-(2-methylphenyl)pyrazol-3-yl]benzamide?
2-[1-(2-methylphenyl)pyrazol-3-yl]benzamide has a molecular weight of 277.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylphenyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 175734660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).