2-methyl-5-pyrazol-1-ylbenzamide

C11H11N3O — CID 68604626

IUPAC2-methyl-5-pyrazol-1-ylbenzamide
SMILESCc1ccc(-n2cccn2)cc1C(N)=O
InChIInChI=1S/C11H11N3O/c1-8-3-4-9(7-10(8)11(12)15)14-6-2-5-13-14/h2-7H,1H3,(H2,12,15)
InChIKeyLCVYSSVOGOALAH-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.28
Rot. Bonds2

About 2-methyl-5-pyrazol-1-ylbenzamide

2-methyl-5-pyrazol-1-ylbenzamide (PubChem CID 68604626) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-methyl-5-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name2-methyl-5-pyrazol-1-ylbenzamide
PubChem CID68604626
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-methyl-5-pyrazol-1-ylbenzamide
SMILESCc1ccc(-n2cccn2)cc1C(N)=O
InChIInChI=1S/C11H11N3O/c1-8-3-4-9(7-10(8)11(12)15)14-6-2-5-13-14/h2-7H,1H3,(H2,12,15)
InChIKeyLCVYSSVOGOALAH-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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Related Compounds

2-bromo-4-pyrazol-1-ylbenzamide
CID 107282932
2-methyl-5-(1,2,4-triazol-4-yl)benzamide
CID 68605701
4-methyl-2-pyrazol-1-ylbenzamide
CID 63810394
2-methyl-5-(4-methylimidazol-1-yl)benzamide
CID 68604922
ethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol
CID 143966234
4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole-2-carboxamide
CID 68510393
(1Z,3Z)-1-(2-methyl-4-pyrazol-1-ylphenyl)hexa-1,3-diene-1,4-diamine
CID 166776619
ethyl 2-amino-3-methyl-5-pyrazol-1-ylbenzoate
CID 103415274
3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35275378
methyl 2-nitro-5-pyrazol-1-ylbenzoate
CID 58565081
2-[(4-pyrazol-1-ylbenzoyl)amino]benzamide
CID 78812019
ethane;N-ethyl-N-[(2-methyl-5-pyrazol-1-ylphenyl)methyl]cyclopropanecarboxamide
CID 143966240

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyrazol-1-ylbenzamide?
The IUPAC name of 2-methyl-5-pyrazol-1-ylbenzamide (CID 68604626) is 2-methyl-5-pyrazol-1-ylbenzamide.
What is the SMILES notation for 2-methyl-5-pyrazol-1-ylbenzamide?
The canonical SMILES for 2-methyl-5-pyrazol-1-ylbenzamide is Cc1ccc(-n2cccn2)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-pyrazol-1-ylbenzamide?
The InChIKey is LCVYSSVOGOALAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-3-4-9(7-10(8)11(12)15)14-6-2-5-13-14/h2-7H,1H3,(H2,12,15).
What are the key properties of 2-methyl-5-pyrazol-1-ylbenzamide?
2-methyl-5-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 2-methyl-5-pyrazol-1-ylbenzamide is sourced from PubChem (CID 68604626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).