4-methyl-2-pyrazol-1-ylbenzamide

C11H11N3O — CID 63810394

IUPAC4-methyl-2-pyrazol-1-ylbenzamide
SMILESCc1ccc(C(N)=O)c(-n2cccn2)c1
InChIInChI=1S/C11H11N3O/c1-8-3-4-9(11(12)15)10(7-8)14-6-2-5-13-14/h2-7H,1H3,(H2,12,15)
InChIKeyNBJNIMPDZZTMPO-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.28
Rot. Bonds2

About 4-methyl-2-pyrazol-1-ylbenzamide

4-methyl-2-pyrazol-1-ylbenzamide (PubChem CID 63810394) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-methyl-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name4-methyl-2-pyrazol-1-ylbenzamide
PubChem CID63810394
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-methyl-2-pyrazol-1-ylbenzamide
SMILESCc1ccc(C(N)=O)c(-n2cccn2)c1
InChIInChI=1S/C11H11N3O/c1-8-3-4-9(11(12)15)10(7-8)14-6-2-5-13-14/h2-7H,1H3,(H2,12,15)
InChIKeyNBJNIMPDZZTMPO-UHFFFAOYSA-N
XLogP1.28
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrazol-1-ylbenzamide?
The IUPAC name of 4-methyl-2-pyrazol-1-ylbenzamide (CID 63810394) is 4-methyl-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for 4-methyl-2-pyrazol-1-ylbenzamide?
The canonical SMILES for 4-methyl-2-pyrazol-1-ylbenzamide is Cc1ccc(C(N)=O)c(-n2cccn2)c1.
What is the InChIKey of 4-methyl-2-pyrazol-1-ylbenzamide?
The InChIKey is NBJNIMPDZZTMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-3-4-9(11(12)15)10(7-8)14-6-2-5-13-14/h2-7H,1H3,(H2,12,15).
What are the key properties of 4-methyl-2-pyrazol-1-ylbenzamide?
4-methyl-2-pyrazol-1-ylbenzamide has a molecular weight of 201.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 63810394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).