2-(pyrazol-1-ylmethyl)benzamide

C11H11N3O — CID 63812070

IUPAC2-(pyrazol-1-ylmethyl)benzamide
SMILESNC(=O)c1ccccc1Cn1cccn1
InChIInChI=1S/C11H11N3O/c12-11(15)10-5-2-1-4-9(10)8-14-7-3-6-13-14/h1-7H,8H2,(H2,12,15)
InChIKeyRPODIZSKFBZFQG-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.03
Rot. Bonds3

About 2-(pyrazol-1-ylmethyl)benzamide

2-(pyrazol-1-ylmethyl)benzamide (PubChem CID 63812070) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(pyrazol-1-ylmethyl)benzamide
PubChem CID63812070
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(pyrazol-1-ylmethyl)benzamide
SMILESNC(=O)c1ccccc1Cn1cccn1
InChIInChI=1S/C11H11N3O/c12-11(15)10-5-2-1-4-9(10)8-14-7-3-6-13-14/h1-7H,8H2,(H2,12,15)
InChIKeyRPODIZSKFBZFQG-UHFFFAOYSA-N
XLogP1.03
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of 2-(pyrazol-1-ylmethyl)benzamide (CID 63812070) is 2-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for 2-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for 2-(pyrazol-1-ylmethyl)benzamide is NC(=O)c1ccccc1Cn1cccn1.
What is the InChIKey of 2-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is RPODIZSKFBZFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-11(15)10-5-2-1-4-9(10)8-14-7-3-6-13-14/h1-7H,8H2,(H2,12,15).
What are the key properties of 2-(pyrazol-1-ylmethyl)benzamide?
2-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 201.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 63812070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).