N-(2,5-dimethylpyrazol-3-yl)benzamide

C12H13N3O — CID 2818761

IUPACN-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2)n(C)n1
InChIInChI=1S/C12H13N3O/c1-9-8-11(15(2)14-9)13-12(16)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16)
InChIKeyKKPCKDOFGRYLNK-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.98
Rot. Bonds2

About N-(2,5-dimethylpyrazol-3-yl)benzamide

N-(2,5-dimethylpyrazol-3-yl)benzamide (PubChem CID 2818761) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)benzamide
PubChem CID2818761
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2)n(C)n1
InChIInChI=1S/C12H13N3O/c1-9-8-11(15(2)14-9)13-12(16)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16)
InChIKeyKKPCKDOFGRYLNK-UHFFFAOYSA-N
XLogP1.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)benzamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)benzamide (CID 2818761) is N-(2,5-dimethylpyrazol-3-yl)benzamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)benzamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccccc2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)benzamide?
The InChIKey is KKPCKDOFGRYLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-8-11(15(2)14-9)13-12(16)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)benzamide?
N-(2,5-dimethylpyrazol-3-yl)benzamide has a molecular weight of 215.26 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)benzamide is sourced from PubChem (CID 2818761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).