N-(2,5-dimethylpyrazol-3-yl)-4-pentoxybenzamide

C17H23N3O2 — CID 42109658

IUPACN-(2,5-dimethylpyrazol-3-yl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cc(C)nn2C)cc1
InChIInChI=1S/C17H23N3O2/c1-4-5-6-11-22-15-9-7-14(8-10-15)17(21)18-16-12-13(2)19-20(16)3/h7-10,12H,4-6,11H2,1-3H3,(H,18,21)
InChIKeyZDIBMUBCRKSULT-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.55
Rot. Bonds7

About N-(2,5-dimethylpyrazol-3-yl)-4-pentoxybenzamide

N-(2,5-dimethylpyrazol-3-yl)-4-pentoxybenzamide (PubChem CID 42109658) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-4-pentoxybenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-4-pentoxybenzamide
PubChem CID42109658
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cc(C)nn2C)cc1
InChIInChI=1S/C17H23N3O2/c1-4-5-6-11-22-15-9-7-14(8-10-15)17(21)18-16-12-13(2)19-20(16)3/h7-10,12H,4-6,11H2,1-3H3,(H,18,21)
InChIKeyZDIBMUBCRKSULT-UHFFFAOYSA-N
XLogP3.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-4-pentoxybenzamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-4-pentoxybenzamide (CID 42109658) is N-(2,5-dimethylpyrazol-3-yl)-4-pentoxybenzamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-4-pentoxybenzamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)Nc2cc(C)nn2C)cc1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-4-pentoxybenzamide?
The InChIKey is ZDIBMUBCRKSULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-5-6-11-22-15-9-7-14(8-10-15)17(21)18-16-12-13(2)19-20(16)3/h7-10,12H,4-6,11H2,1-3H3,(H,18,21).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-4-pentoxybenzamide?
N-(2,5-dimethylpyrazol-3-yl)-4-pentoxybenzamide has a molecular weight of 301.39 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-4-pentoxybenzamide is sourced from PubChem (CID 42109658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).