N-(4-cyano-1,3-dimethylpyrazol-5-yl)-2,6-dimethoxybenzamide

C15H16N4O3 — CID 17088867

IUPACN-(4-cyano-1,3-dimethylpyrazol-5-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1c(C#N)c(C)nn1C
InChIInChI=1S/C15H16N4O3/c1-9-10(8-16)14(19(2)18-9)17-15(20)13-11(21-3)6-5-7-12(13)22-4/h5-7H,1-4H3,(H,17,20)
InChIKeyBMYURQDFPUTOED-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.87
Rot. Bonds4

About N-(4-cyano-1,3-dimethylpyrazol-5-yl)-2,6-dimethoxybenzamide

N-(4-cyano-1,3-dimethylpyrazol-5-yl)-2,6-dimethoxybenzamide (PubChem CID 17088867) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(4-cyano-1,3-dimethylpyrazol-5-yl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-cyano-1,3-dimethylpyrazol-5-yl)-2,6-dimethoxybenzamide
PubChem CID17088867
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-(4-cyano-1,3-dimethylpyrazol-5-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1c(C#N)c(C)nn1C
InChIInChI=1S/C15H16N4O3/c1-9-10(8-16)14(19(2)18-9)17-15(20)13-11(21-3)6-5-7-12(13)22-4/h5-7H,1-4H3,(H,17,20)
InChIKeyBMYURQDFPUTOED-UHFFFAOYSA-N
XLogP1.87
TPSA89.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1,3-dimethylpyrazol-5-yl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(4-cyano-1,3-dimethylpyrazol-5-yl)-2,6-dimethoxybenzamide (CID 17088867) is N-(4-cyano-1,3-dimethylpyrazol-5-yl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(4-cyano-1,3-dimethylpyrazol-5-yl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(4-cyano-1,3-dimethylpyrazol-5-yl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1c(C#N)c(C)nn1C.
What is the InChIKey of N-(4-cyano-1,3-dimethylpyrazol-5-yl)-2,6-dimethoxybenzamide?
The InChIKey is BMYURQDFPUTOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-9-10(8-16)14(19(2)18-9)17-15(20)13-11(21-3)6-5-7-12(13)22-4/h5-7H,1-4H3,(H,17,20).
What are the key properties of N-(4-cyano-1,3-dimethylpyrazol-5-yl)-2,6-dimethoxybenzamide?
N-(4-cyano-1,3-dimethylpyrazol-5-yl)-2,6-dimethoxybenzamide has a molecular weight of 300.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1,3-dimethylpyrazol-5-yl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 17088867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).