N,2-dimethyl-3-pyrazol-1-ylbenzamide

C12H13N3O — CID 174583524

IUPACN,2-dimethyl-3-pyrazol-1-ylbenzamide
SMILESCNC(=O)c1cccc(-n2cccn2)c1C
InChIInChI=1S/C12H13N3O/c1-9-10(12(16)13-2)5-3-6-11(9)15-8-4-7-14-15/h3-8H,1-2H3,(H,13,16)
InChIKeyOACRCZPGUCHAJH-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.54
Rot. Bonds2

About N,2-dimethyl-3-pyrazol-1-ylbenzamide

N,2-dimethyl-3-pyrazol-1-ylbenzamide (PubChem CID 174583524) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N,2-dimethyl-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN,2-dimethyl-3-pyrazol-1-ylbenzamide
PubChem CID174583524
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN,2-dimethyl-3-pyrazol-1-ylbenzamide
SMILESCNC(=O)c1cccc(-n2cccn2)c1C
InChIInChI=1S/C12H13N3O/c1-9-10(12(16)13-2)5-3-6-11(9)15-8-4-7-14-15/h3-8H,1-2H3,(H,13,16)
InChIKeyOACRCZPGUCHAJH-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-pyrazol-1-ylbenzamide?
The IUPAC name of N,2-dimethyl-3-pyrazol-1-ylbenzamide (CID 174583524) is N,2-dimethyl-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N,2-dimethyl-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N,2-dimethyl-3-pyrazol-1-ylbenzamide is CNC(=O)c1cccc(-n2cccn2)c1C.
What is the InChIKey of N,2-dimethyl-3-pyrazol-1-ylbenzamide?
The InChIKey is OACRCZPGUCHAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-10(12(16)13-2)5-3-6-11(9)15-8-4-7-14-15/h3-8H,1-2H3,(H,13,16).
What are the key properties of N,2-dimethyl-3-pyrazol-1-ylbenzamide?
N,2-dimethyl-3-pyrazol-1-ylbenzamide has a molecular weight of 215.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 174583524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).